Science.gov

Sample records for molecule processes semiannual

  1. Automated solar cell assembly teamed process research. Semiannual subcontract report, December 6, 1993--June 30, 1994

    SciTech Connect

    Nowlan, M.

    1995-01-01

    This is the second Semiannual Technical Progress Report for the program titled `Automated Solar Cell Assembly Teamed Process Research` funded under National Renewable Energy Laboratory (NREL) subcontract No. ZAG-3-11219-01. This report describes the work done on Phase II of the program in the period from December 6, 1993 to June 30, 1994. Spire`s objective in this program is to develop high throughput (5 MW/yr) automated processes for interconnecting thin (200 {mu}m) silicon solar cells. High yield will be achieved with these fragile cells through the development of low mechanical stress and low thermal stress processes. For example, a machine vision system is being developed for cell alignment without mechanically contacting the cell edges, while a new soldering process is being developed to solder metal interconnect ribbons simultaneously to a cells` front and back contacts, eliminating one of the two heating steps normally used for soldering each cell.

  2. Note on the semi-annual effect in the thermosphere

    NASA Technical Reports Server (NTRS)

    Volland, H.; Mayr, H. G.

    1972-01-01

    The semi-annual variation in the thermospheric density is discussed in terms of the spatial and temporal variations in the solar heat input. Two heat sources are considered: the solar heat input associated with the semi-annual migration of the sun, and the auroral heat associated with the semi-annual component in magnetic storms. It is shown that the relatively large global component in the semi-annual effect of the total mass density can be explained by the lack of advective loss which otherwise damps the latitude dependent components in the annual and semi-annual variations, and the significant latitude dependence in the semi-annual variations of composition and temperature can be tied to the diffusion process which is induced by the thermospheric circulation.

  3. Development of an intelligent grinding wheel for in-process monitoring of ceramic grinding. Semi-annual report {number_sign}3

    SciTech Connect

    Malkin, S.; Gao, R.; Guo, C.; Varghese, B.; Pathare, S.

    1998-03-26

    This is the third semi-annual report for the project. The overall objective of this project is to develop sensor-integrated intelligent diamond wheels for grinding of ceramics. Such wheels will be smart enough to monitor and supervise both the wheel preparation and grinding processes without the need to instrument the machine tool. Intelligent wheels will utilize re-useable cores integrated with sensors: to measure the acoustic emission (AE) and grinding force. Signals from the sensors will be transmitted from a rotating wheel to a receiver by telemetry. Wheels will be trained to recognize distinct characteristics associated with truing, dressing and grinding. The technical progress is summarized in this report.

  4. HTGR process heat program design and analysis. Semiannual progress report, October 1, 1979-March 28, 1980

    SciTech Connect

    Not Available

    1980-10-01

    This report summarizes the results of concept design studies implemented at General Atomic Company (GA) during the first half of FY-80. The studies relate to a plant design for an 842-MW(t) High-Temperature Gas-Cooled Reactor utilizing an intermediate helium heat transfer loop to provide high temperature thermal energy for the production of hydrogen or synthesis gas (H/sub 2/ + CO) by steam-reforming a light hydrocarbon. Basic carbon sources may be coal, residual oil, or oil shale. Work tasks conducted during this period included the 842-MW(t) plant concept design and cost estimate for an 850/sup 0/C reactor outlet temperature. An assessment of the main-loop cooling shutdown system is reported. Major component cost models were prepared and programmed into the Process Heat Reactor Evaluation and Design (PHRED) code.

  5. Processing of apple pomace for bioactive molecules.

    PubMed

    Bhushan, Shashi; Kalia, Kalpana; Sharma, Madhu; Singh, Bikram; Ahuja, P S

    2008-01-01

    The growth of horticulture industries worldwide has generated huge quantities of fruit wastes (25%-40% of the total fruits processed). These residues are generally a good source of carbohydrates, especially cell wall polysaccharides and other functionally important bioactive molecules such as proteins, vitamins, minerals and natural antioxidants. "Apple pomace" is a left-over solid biomass with a high moisture content, obtained as a by-product during the processing of apple fruits for juice, cider or wine preparation. Owing to the high carbohydrate content, apple pomace is used as a substrate in a number of microbial processes for the production of organic acids, enzymes, single cell protein, ethanol, low alcoholic drinks and pigments. Recent research trends reveal that there is an increase in the utilization of apple pomace as a food processing residue for the extraction of value added products such as dietary fibre, protein, natural antioxidants, biopolymers, pigments and compounds with unique properties. However, the central dogma is still the stability, safety and economic feasibility of the process(s)/product(s) developed. This review is mainly focused on assessing recent research developments in extraction, isolation and characterization of bioactive molecules from apple pomace, along with their commercial utilization, in food fortification.

  6. Semiannual patents review, January-June 1999

    Treesearch

    Marguerite Sykes; Julie Blankenburg

    1999-01-01

    This review summarizes patents related to paper recycling that were issued during the first 6 months of 1999. The two on-line databases used for this search were C1aims/U.S. Patents Abstracts and Derwent World Patents Index. This semiannual feature is intended to inform readers about the latest developments in equipment design, chemicals, and process technology for...

  7. Semiannual patents review, January — June 2001.

    Treesearch

    Marguerite S. Sykes; Julie. Blankenburg

    2001-01-01

    This review summarizes patents related to paper recycling that were issued during the first 6 months of 2001. Two online databases, Claims/U.S. Patents Abstracts and Derwent World Patents Index, were searched for this review. This semiannual feature is intended to inform readers about recent developments in equipment design, chemicals, and process technology for...

  8. Semiannual patents review, July 2001-December 2001

    Treesearch

    Roland Gleisner; Marguerite Sykes; Julie Blankenburg

    2002-01-01

    This review summarizes patents related to paper recycling that were issued during the last six months of 2001. Two on-line databases, Claims/U.S. Patents Abstracts and Derwent World Patents Index, were searched for this review. This semiannual feature is intended to inform readers about recent developments in equipment design, chemicals and process technology for...

  9. PREFACE: Processes in Isotopes and Molecules

    NASA Astrophysics Data System (ADS)

    Bogdan, Diana; Tosa, Valer

    2009-07-01

    These Proceedings present some of the Invited Lectures and Contributed Papers of the International Conference 'Processes in Isotopes and Molecules' (PIM), held in Cluj-Napoca, Romania, 24-26 September 2009. The PIM conference, started in 1999 as a local event, is now an international conference organized every two years by the National Institute for R&D of Isotopic and Molecular Technologies in Cluj-Napoca, the capital city of Transylvania, Romania. The meetings are attended by researchers in the field of atomic and molecular physics as well as those developing new materials and technologies. The scientific subjects are at the cross-roads of three fundamental research areas: physics, chemistry, and biology. The papers here are grouped according to the five conference topics: T1 - Molecular and biomolecular systems T2 - Modern techniques and technologies T3 - Environmental molecular processes T4 - Hydrogen and renewable sources of energy T5 - Nanostructured materials and nanocomposites We gratefully acknowledge the contribution of our colleagues from the Scientific Committee and Program Committee who contributed their time, energy and expertise to the refereeing process. Finally, we would like to thank people from IOP Publishing for their friendly advice and prompt help during the editing process, as well as for their efforts making the Journal of Physics: Conference Series available to the scientific community. Diana Bogdan and Valer Tosa National Institute for R&D Isotopic and Molecular Technologies, Cluj-Napoca

  10. 75 FR 79929 - Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-20

    ... From the Federal Register Online via the Government Publishing Office ] Part XXII Federal Trade Commission ###Semiannual Regulatory Agenda### ] FEDERAL TRADE COMMISSION (FTC) FEDERAL TRADE COMMISSION 16 CFR Ch. I Semiannual Regulatory Agenda AGENCY: Federal Trade Commission. ACTION: Semiannual regulatory...

  11. Semiannual report to Congress

    SciTech Connect

    Layton, J.C.

    1991-04-01

    The issue of the Office of Inspector General (OIG) Semiannual Report to the congress covers the period from October 1, 1990, to March 31, 1991. Among the significant audits, inspections, and investigations presented in this Semiannual Report are those on environmental testing done by Department of Energy (DOE) laboratories, issues relating to the construction of the Superconducting Super Collider, control exercised by the DOE over subcontracts awarded by DOE contractors in furtherance of the Work-For-Others Program, deficiencies in DOE's oversight of the personnel security program, vendors substituting used circuit breakers in place of new ones ordered, and noncompliance with DOE documentation and reporting requirements in making and managing major system acquisitions. The Semiannual report is organized into five major sections. The first section contains brief overviews of the Department of Energy and the Office of Inspector General, as well as OIG views on current legislative matters. The second section describes the significant operational results of OIG audit, inspection, and investigative activity. The third, fourth, and fifth sections contain compilations of OIG statistical data.

  12. Non-equilibrium processes in interstellar molecules

    NASA Technical Reports Server (NTRS)

    Strelnitskiy, V. S.

    1979-01-01

    The types of nonequilibrium emission and absorption by interstellar molecules are summarized. The observed brightness emission temperatures of compact OH and H2O sources are discussed using the concept of maser amplification. A single thermodynamic approach was used in which masers and anti-masers are considered as heat engines for the theoretical interpretation of the cosmic maser and anti-maser phenomena. The requirements for different models of pumping are formulated and a classification is suggested for the mechanisms of pumping, according to the source and discharge of energy.

  13. Automated solar cell assembly teamed process research. Semiannual subcontract report, 7 January 1993--30 June 1993

    SciTech Connect

    Nowlan, M.J.; Hogan, S.J.; Darkazalli, G.; Breen, W.F.; Murach, J.M.; Sutherland, S.F.

    1994-02-01

    This report describes work done under Phase 3A of the PVMaT project to address problems that are generic to the photovoltaics (PV) industry. Crystalline silicon solar cells were used in the majority of all terrestrial power modules shipped in 1992. Spire`s analysis in Phase 1 of the PVMaT project indicated that the use of thin ({le}200-{mu}m) silicon cells can substantially reduce module manufacturing costs, provided that processing yields remain as high as they are now for processing standard thickness cells. Because present solar cell tabbing and interconnecting processes have unacceptably high yield losses with such thin cells, the objective of this Phase 3A subcontract is to use Spire`s light soldering technology and experience in designing and fabricating solar cell tabbing and interconnecting equipment to develop high yield throughput, fully automated processes for tabbing and interconnecting thin cells.

  14. 78 FR 11735 - Semiannual Regulatory Agenda; Correction

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-02-19

    ... February 19, 2013 Part II Small Business Administration Semiannual Regulatory Agenda; Correction #0;#0... ADMINISTRATION 13 CFR Ch. I Semiannual Regulatory Agenda; Correction AGENCY: U.S. Small Business Administration (SBA). ACTION: Semiannual Regulatory Agenda; correction. SUMMARY: This document contains a...

  15. 78 FR 44349 - Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-07-23

    ... July 23, 2013 Part XXI Bureau of Consumer Financial Protection Semiannual Regulatory Agenda #0;#0... FINANCIAL PROTECTION 12 CFR Ch. X Semiannual Regulatory Agenda AGENCY: Bureau of Consumer Financial Protection. ACTION: Semiannual regulatory agenda. SUMMARY: The Bureau of Consumer Financial Protection (CFPB...

  16. HTGR-process steam/cogeneration and HTGR-steam cycle program. Semiannual report, October 1, 1979-March 31, 1980

    SciTech Connect

    Not Available

    1980-09-01

    Progress in the design of an 1170-MW(t) High-Temperature Gas-Cooled Reactor (HTGR) Nuclear Steam Supply (NSS) is described. This NSS can integrate favorably into present petrochemical and primary metal process industries, heavy oil recovery operations, and future shale oil recovery and synfuel processes. The economics appear especially attractive in comparison with alternative coal-fired steam generation. Cost estimates for central station power-generating 2240- and 3360-MW(t) HTGR-Steam Cycle (HTGR-SC) plants are updated. The 2240-MW(t) HTGR-SC is treated to a probabilistic risk evaluation. Compared with the earlier 3000-MW(t) design, the results predict a slightly increased risk of core heatup, owing to the result of eliminating the capability of the boiler feed pump to operate at atmospheric backpressure. The differences in risk, however, are within the calculational uncertainties. Preliminary results of the ranking of safety enhancement features for the 1170-MW(t) HTGR indicate that the following modifications offer the most promise: (1) capability for main loop rundown, (2) natural circulation core auxiliary cooling, and (3) PCRV blowdown capability through the helium purification system to minimize activity release during some core heatups.

  17. Extending Single-Molecule Microscopy Using Optical Fourier Processing

    PubMed Central

    2015-01-01

    This article surveys the recent application of optical Fourier processing to the long-established but still expanding field of single-molecule imaging and microscopy. A variety of single-molecule studies can benefit from the additional image information that can be obtained by modulating the Fourier, or pupil, plane of a widefield microscope. After briefly reviewing several current applications, we present a comprehensive and computationally efficient theoretical model for simulating single-molecule fluorescence as it propagates through an imaging system. Furthermore, we describe how phase/amplitude-modulating optics inserted in the imaging pathway may be modeled, especially at the Fourier plane. Finally, we discuss selected recent applications of Fourier processing methods to measure the orientation, depth, and rotational mobility of single fluorescent molecules. PMID:24745862

  18. Extending single-molecule microscopy using optical Fourier processing.

    PubMed

    Backer, Adam S; Moerner, W E

    2014-07-17

    This article surveys the recent application of optical Fourier processing to the long-established but still expanding field of single-molecule imaging and microscopy. A variety of single-molecule studies can benefit from the additional image information that can be obtained by modulating the Fourier, or pupil, plane of a widefield microscope. After briefly reviewing several current applications, we present a comprehensive and computationally efficient theoretical model for simulating single-molecule fluorescence as it propagates through an imaging system. Furthermore, we describe how phase/amplitude-modulating optics inserted in the imaging pathway may be modeled, especially at the Fourier plane. Finally, we discuss selected recent applications of Fourier processing methods to measure the orientation, depth, and rotational mobility of single fluorescent molecules.

  19. Density Functional Studies of Decomposition Processes of Energetic Molecules

    DTIC Science & Technology

    1994-11-03

    34-- I of Energetic Molecules Dr. Richard S. Miller 6. AUTHOR(S) Peter Politzer, Jorge M. Seminario and M. Edward Grice R&T Code 4131DO2 7. PERFORMING...49) ,’i. " o MW U of. tongi.ig2 Density Functional Studies of Decomposition Processes of Energetic Molecules Peter Politzer, Jorge M. Seminario and...Initio Molecular Orbital Theory, (Wiley-Interscience, New York, 1986). 9. J. M. Seminario , M. Grodzicki and P. Politzer, in Density Functional Methods

  20. Applications of cross sections for electron-molecule collision processes

    SciTech Connect

    Cartwright, D.C.

    1985-01-01

    The role of electron-molecule collision cross sections is discussed for the study of the ionospheric and auroral processes in planetary atmospheres and of discharge-pumped lasers. These two areas emphasize the importance of further theoretical and experimental studies concerning electron-impact processes. 13 refs., 3 figs., 2 tabs. (WRF)

  1. Semiannual patents review July 2002–December 2002

    Treesearch

    Roland Gleisner; Julie Blankenburg

    2003-01-01

    This review summarizes patents related to paper recycling that were issued during the last six months of 2002. Two on-line databases, Claims/U.S. Patents Abstracts and Derwent World Patents Index, were searched for this review. This semiannual feature is intended to inform readers about recent developments in equipment design, chemicals, and process technology for...

  2. Single Fungal Kinesin Motor Molecules Move Processively along Microtubules

    PubMed Central

    Lakämper, Stefan; Kallipolitou, Athina; Woehlke, Günther; Schliwa, Manfred; Meyhöfer, Edgar

    2003-01-01

    Conventional kinesins are two-headed molecular motors that move as single molecules micrometer-long distances on microtubules by using energy derived from ATP hydrolysis. The presence of two heads is a prerequisite for this processive motility, but other interacting domains, like the neck and K-loop, influence the processivity and are implicated in allowing some single-headed kinesins to move processively. Neurospora kinesin (NKin) is a phylogenetically distant, dimeric kinesin from Neurospora crassa with high gliding speed and an unusual neck domain. We quantified the processivity of NKin and compared it to human kinesin, HKin, using gliding and fluorescence-based processivity assays. Our data show that NKin is a processive motor. Single NKin molecules translocated microtubules in gliding assays on average 2.14 μm (N = 46). When we tracked single, fluorescently labeled NKin motors, they moved on average 1.75 μm (N = 182) before detaching from the microtubule, whereas HKin motors moved shorter distances (0.83 μm, N = 229) under identical conditions. NKin is therefore at least twice as processive as HKin. These studies, together with biochemical work, provide a basis for experiments to dissect the molecular mechanisms of processive movement. PMID:12609885

  3. Energy landscape exploration of the folding processes of biological molecules

    NASA Astrophysics Data System (ADS)

    Engel, Megan Clare

    For decades, scientists from every discipline have struggled to understand the mechanism of biological self-assembly, which allows proteins and nucleic acids to fold reliably into functional three-dimensional structures. Such an understanding may hold the key to eliminating diseases such as Alzheimer's and Parkinson's and to effective protein engineering. The current best framework for describing biological folding processes is that of statistical mechanical energy landscape theory, and one of the most promising experimental techniques for exploring molecular energy landscapes is single molecule force spectroscopy (SMFS), in which molecules are mechanically denatured. Theoretical advances have enabled the extraction of complete energy landscape profiles from SMFS data. Here, SMFS experiments performed using laser optical tweezers are analyzed to yield the first ever full landscape profile for an RNA pseudoknot. Further, a promising novel landscape reconstruction technique is validated for the first time using experimental data from a DNA hairpin.

  4. Environmental Protection Agency Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-26

    ... [Environmental Protection Agency Semiannual Regulatory Agenda ] Part XIV Environmental Protection Agency Semiannual Regulatory Agenda ] ENVIRONMENTAL PROTECTION AGENCY (EPA) ENVIRONMENTAL PROTECTION AGENCY 40 CFR Ch. I EPA-HQ-OA-2007-1172 EPA-HQ-OW-2010-0169 EPA-HQ-OW-2010-0166 EPA-HQ-OAR-2010-0052 Spring 2010 Regulatory Agenda AGENCY:...

  5. Department of Homeland Security Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-26

    ... Part VIII Department of Homeland Security Semiannual Regulatory Agenda ] DEPARTMENT OF HOMELAND SECURITY (DHS) DEPARTMENT OF HOMELAND SECURITY Office of the Secretary 6 CFR Chs. I and II Unified Agenda of Federal Regulatory and Deregulatory Actions AGENCY: Office of the Secretary, DHS. ACTION: Semiannual regulatory agenda. SUMMARY: This...

  6. Department of Transportation Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-26

    ... [Department of Transportation Semiannual Regulatory Agenda ] Part XII Department of Transportation Semiannual Regulatory Agenda ] DEPARTMENT OF TRANSPORTATION (DOT) DEPARTMENT OF TRANSPORTATION Office of the Secretary 14 CFR Chs. I-III 23 CFR Chs. I-III 33 CFR Chs. I and IV 46 CFR Chs. I-III 48 CFR Ch. 12 49 CFR Subtitle A, Chs. I-VI and Chs....

  7. Federal Communications Commission Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-26

    ... Part XVIII Federal Communications Commission Semiannual Regulatory Agenda ] FEDERAL COMMUNICATIONS COMMISSION (FCC) FEDERAL COMMUNICATIONS COMMISSION 47 CFR Ch. I Unified Agenda of Federal Regulatory and Deregulatory Actions AGENCY: Federal Communications Commission. ACTION: Semiannual regulatory agenda. SUMMARY: Twice a year, in spring and fall...

  8. 77 FR 8020 - Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-02-13

    ... February 13, 2012 Part XIX Small Business Administration Semiannual Regulatory Agenda #0;#0;Federal Register / Vol. 77 , No. 29 / Monday, February 13, 2012 / Unified Agenda#0;#0; ] SMALL BUSINESS ADMINISTRATION 13 CFR Ch. I Semiannual Regulatory Agenda AGENCY: U.S. Small Business Administration (SBA). ACTION...

  9. Processive cytoskeletal motors studied with single-molecule fluorescence techniques

    PubMed Central

    Belyy, Vladislav; Yildiz, Ahmet

    2014-01-01

    Processive cytoskeletal motors from the myosin, kinesin, and dynein families walk on actin filaments and microtubules to drive cellular transport and organization in eukaryotic cells. These remarkable molecular machines are able to take hundreds of successive steps at speeds of up to several microns per second, allowing them to effectively move vesicles and organelles throughout the cytoplasm. Here, we focus on single-molecule fluorescence techniques and discuss their wide-ranging applications to the field of cytoskeletal motor research. We cover both traditional fluorescence and sub-diffraction imaging of motors, providing examples of how fluorescence data can be used to measure biophysical parameters of motors such as coordination, stepping mechanism, gating, and processivity. We also outline some remaining challenges in the field and suggest future directions. PMID:24882363

  10. Processive cytoskeletal motors studied with single-molecule fluorescence techniques.

    PubMed

    Belyy, Vladislav; Yildiz, Ahmet

    2014-10-01

    Processive cytoskeletal motors from the myosin, kinesin, and dynein families walk on actin filaments and microtubules to drive cellular transport and organization in eukaryotic cells. These remarkable molecular machines are able to take hundreds of successive steps at speeds of up to several microns per second, allowing them to effectively move vesicles and organelles throughout the cytoplasm. Here, we focus on single-molecule fluorescence techniques and discuss their wide-ranging applications to the field of cytoskeletal motor research. We cover both traditional fluorescence and sub-diffraction imaging of motors, providing examples of how fluorescence data can be used to measure biophysical parameters of motors such as coordination, stepping mechanism, gating, and processivity. We also outline some remaining challenges in the field and suggest future directions.

  11. A Sturmian approach for ionization processes of atoms and molecules

    NASA Astrophysics Data System (ADS)

    Ancarani, Lorenzo Ugo

    2016-09-01

    The Sturmian approach, using Generalized Sturmian Functions (GSF), is a spectral method that has been applied successfully both for structure calculations and for the study of several ionization processes with atomic targets. GSF are two-body functions that solve a Sturm-Liouville problem. They can be used as a basis set to deal with two- or three-body bound or scattering problems. By construction, the whole GSF set can be chosen to possess asymptotic conditions appropriate for the physical problem under consideration: bound-type behavior with a specific asymptotic charge are chosen for bound states, while - for example - outgoing behavior with a given adequate energy are taken for solving scattering processes. This important intrinsic property makes GSF basis sets - and thus the whole approach - computationally efficient. In the case of ionization, a specific feature of our methodology is that the scattering amplitude and the corresponding cross section are extracted directly from the asymptotic part of the scattering function without requiring the evaluation of a matrix element. Compared to the case of many-electron atoms several extra challenges occur for molecules: the scattering problem is generally multicenter and highly non-central, and the molecular orientation must also be taken into account. These features make the computational task much more cumbersome and expensive than for atomic targets. The Sturmian approach with GSF has been recently extended and implemented to study single ionization of small polyatomic molecules by photon and electron impact. Results for a variety of single and double ionization processes will be presented. This work has been done in collaboration with G. Gasaneo, D.M. Mitnik, J.M. Randazzo, F.D. Colavecchia, M.J. Ambrosio, J.A. Del Punta and C.M. Granados-Castro. We would like to acknowledge the CNRS funding (PICS project N. 06304).

  12. Single molecule study of a processivity clamp sliding on DNA

    SciTech Connect

    Laurence, T A; Kwon, Y; Johnson, A; Hollars, C; O?Donnell, M; Camarero, J A; Barsky, D

    2007-07-05

    Using solution based single molecule spectroscopy, we study the motion of the polIII {beta}-subunit DNA sliding clamp ('{beta}-clamp') on DNA. Present in all cellular (and some viral) forms of life, DNA sliding clamps attach to polymerases and allow rapid, processive replication of DNA. In the absence of other proteins, the DNA sliding clamps are thought to 'freely slide' along the DNA; however, the abundance of positively charged residues along the inner surface may create favorable electrostatic contact with the highly negatively charged DNA. We have performed single-molecule measurements on a fluorescently labeled {beta}-clamp loaded onto freely diffusing plasmids annealed with fluorescently labeled primers of up to 90 bases. We find that the diffusion constant for 1D diffusion of the {beta}-clamp on DNA satisfies D {le} 10{sup -14} cm{sup 2}/s, much slower than the frictionless limit of D = 10{sup -10} cm{sup 2}/s. We find that the {beta} clamp remains at the 3-foot end in the presence of E. coli single-stranded binding protein (SSB), which would allow for a sliding clamp to wait for binding of the DNA polymerase. Replacement of SSB with Human RP-A eliminates this interaction; free movement of sliding clamp and poor binding of clamp loader to the junction allows sliding clamp to accumulate on DNA. This result implies that the clamp not only acts as a tether, but also a placeholder.

  13. High performance photovoltaic applications using solution-processed small molecules.

    PubMed

    Chen, Yongsheng; Wan, Xiangjian; Long, Guankui

    2013-11-19

    Energy remains a critical issue for the survival and prosperity of humancivilization. Many experts believe that the eventual solution for sustainable energy is the use of direct solar energy as the main energy source. Among the options for renewable energy, photovoltaic technologies that harness solar energy offer a way to harness an unlimited resource and minimum environment impact in contrast with other alternatives such as water, nuclear, and wind energy. Currently, almost all commercial photovoltaic technologies use Si-based technology, which has a number of disadvantages including high cost, lack of flexibility, and the serious environmental impact of the Si industry. Other technologies, such as organic photovoltaic (OPV) cells, can overcome some of these issues. Today, polymer-based OPV (P-OPV) devices have achieved power conversion efficiencies (PCEs) that exceed 9%. Compared with P-OPV, small molecules based OPV (SM-OPV) offers further advantages, including a defined structure for more reproducible performance, higher mobility and open circuit voltage, and easier synthetic control that leads to more diversified structures. Therefore, while largely undeveloped, SM-OPV is an important emerging technology with performance comparable to P-OPV. In this Account, we summarize our recent results on solution-processed SM-OPV. We believe that solution processing is essential for taking full advantage of OPV technologies. Our work started with the synthesis of oligothiophene derivatives with an acceptor-donor-acceptor (A-D-A) structure. Both the backbone conjugation length and electron withdrawing terminal groups play an important role in the light absorption, energy levels and performance of the devices. Among those molecules, devices using a 7-thiophene-unit backbone and a 3-ethylrhodanine (RD) terminal unit produced a 6.1% PCE. With the optimized conjugation length and terminal unit, we borrowed from the results with P-OPV devices to optimize the backbone. Thus we

  14. Subfemtosecond directional control of chemical processes in molecules

    NASA Astrophysics Data System (ADS)

    Alnaser, Ali S.; Litvinyuk, Igor V.

    2017-02-01

    Laser pulses with a waveform-controlled electric field and broken inversion symmetry establish the opportunity to achieve directional control of molecular processes on a subfemtosecond timescale. Several techniques could be used to break the inversion symmetry of an electric field. The most common ones include combining a fundamental laser frequency with its second harmonic or with higher -frequency pulses (or pulse trains) as well as using few-cycle pulses with known carrier-envelope phase (CEP). In the case of CEP, control over chemical transformations, typically occurring on a timescale of many femtoseconds, is driven by much faster sub-cycle processes of subfemtosecond to few-femtosecond duration. This is possible because electrons are much lighter than nuclei and fast electron motion is coupled to the much slower nuclear motion. The control originates from populating coherent superpositions of different electronic or vibrational states with relative phases that are dependent on the CEP or phase offset between components of a two-color pulse. In this paper, we review the recent progress made in the directional control over chemical processes, driven by intense few-cycle laser pulses a of waveform-tailored electric field, in different molecules.

  15. 75 FR 79795 - Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-20

    ...This notice provides the semiannual agenda of rules scheduled for review or development between fall 2010 and spring 2011. The Regulatory Flexibility Act and Executive Order 12866 require publication of the agenda.

  16. 78 FR 1594 - Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-01-08

    ...This notice provides the semiannual agenda of rules scheduled for review or development between fall 2012 and spring 2013. The Regulatory Flexibility Act and Executive Order 12866 require publication of the agenda.

  17. Department of Commerce Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-26

    ... Part IV Department of Commerce Semiannual Regulatory Agenda ] DEPARTMENT OF COMMERCE (DOC) DEPARTMENT OF COMMERCE Office of the Secretary 13 CFR Ch. III 15 CFR Subtitle A; Subtitle B, Chs. I, II, III, VII, VIII, IX, and XI 19 CFR Ch. III 37 CFR Chs. I, IV, and V 48 CFR Ch. 13 50 CFR Chs. II, III, IV, and VI Spring 2010 Semiannual Agenda of...

  18. Single molecule image formation, reconstruction and processing: introduction.

    PubMed

    Ashok, Amit; Piestun, Rafael; Stallinga, Sjoerd

    2016-07-01

    The ability to image at the single molecule scale has revolutionized research in molecular biology. This feature issue presents a collection of articles that provides new insights into the fundamental limits of single molecule imaging and reports novel techniques for image formation and analysis.

  19. Semiannual Report: Oct 1, 2005 - Mar 31, 2006

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-06-004, April, 2006. Many of the reviews that we conducted during the semiannual period provided recommendations to help the Agency achieve its mission of protecting human health and the environment.

  20. Semiannual Report: Oct 1, 2016 - March 31, 2017

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-17-001, May, 2017. During the semiannual period, the OIG issued various audit and program evaluation reports with recommendations to help the EPA improve efficiency, as well as better protect people and the environment.

  1. Semiannual Report: Apr 1, 2007 - Sept 30, 2007

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-07-003, Nov, 2007. This semiannual report includes details on these and other issues, including investigations that resulted in payments to the Federal Government and criminal, civil, or administrative actions.

  2. Semiannual Report: Apr 1, 2006 - Sept 30, 2006

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-06-005, Oct, 2006. This semiannual report includes details on these and other issues, including a number of investigations that resulted in payments to the Federal government and criminal, civil, or administrative actions.

  3. Semiannual Report: Oct 1, 2001 - Mar 31, 2002

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-k-01-002, May, 2002. During this semiannual reporting period, EPA's Office of Inspector General, identified Major Management Challenges which could severely impact the attainment of EPA’s mission.

  4. Semiannual Report: April 1, 2001 - Sept 30, 2001

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-K-01-002, Nov, 2001. The report summaries included in this semiannual report clearly illustrate some of the challenges the new Administration faces in its quest to deliver efficient and effective environmental programs.

  5. 32 CFR 70.11 - DoD semiannual report.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 32 National Defense 1 2011-07-01 2011-07-01 false DoD semiannual report. 70.11 Section 70.11... DISCHARGE REVIEW BOARD (DRB) PROCEDURES AND STANDARDS § 70.11 DoD semiannual report. (a) Semiannual reports... from the first through the last days of each reporting period. (c) The report will contain four...

  6. 32 CFR 70.11 - DoD semiannual report.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 32 National Defense 1 2010-07-01 2010-07-01 false DoD semiannual report. 70.11 Section 70.11... DISCHARGE REVIEW BOARD (DRB) PROCEDURES AND STANDARDS § 70.11 DoD semiannual report. (a) Semiannual reports... from the first through the last days of each reporting period. (c) The report will contain four...

  7. Boundary conditions for the paleoenvironment: Chemical and physical processes in the pre-solar nebula. Semiannual status report, 16 August 1986-15 February 1987

    SciTech Connect

    Irvine, W.M.; Schloerb, F.P.

    1987-02-01

    Detailed study of the first interstellar hydrocarbon ring, cyclopropenylidene (C/sub 3/H/sub 2/), is continuing. The singly deuterated isotope of this molecule, C3HD, was observed in several cold interstellar clouds. The results of a large survey for C/sub 3/H/sub 2/ in galactic sources of various types will soon be completed. It appears that cyclopropenylidene is present in virtually all interstellar clouds of at least moderate density. In order to make the first determinations of the CO/sub 2//CO abundance ratio in interstellar sources, observations of protonated CO/sub 2/ were pursued. The spectrum from 18.5 to 22 GHz for several interstellar clouds is being systematically measured. Particular attention is being given to the cold, dark clouds TMC-1 and L124N, which may be formation sites for solar mass stars. The phenomena of maser emission from molecules of methanol is being studied in certain interstellar clouds. A comparison of 1 millimeter continuum emission from dust with the column density of carbon monoxide as determined from the rare C(18)O isotope for 4 molecular clouds in the Galaxy is nearing completion. Papers published during the period of this report are listed.

  8. Low-rank coal research semiannual report, January 1992--June 1992

    SciTech Connect

    Not Available

    1992-12-31

    This semiannual report is a compilation of seventeen reports on ongoing coal research at the University of North Dakota. The following research areas are covered: control technology and coal preparation; advanced research and technology development; combustion; liquefaction and gasification. Individual papers have been processed separately for inclusion in the Energy Science and Technology Database.

  9. Silicon technology compatible photonic molecules for compact optical signal processing

    SciTech Connect

    Barea, Luis A. M. Vallini, Felipe; Jarschel, Paulo F.; Frateschi, Newton C.

    2013-11-11

    Photonic molecules (PMs) based on multiple inner coupled microring resonators allow to surpass the fundamental constraint between the total quality factor (Q{sub T}), free spectral range (FSR), and resonator size. In this work, we use a PM that presents doublets and triplets resonance splitting, all with high Q{sub T}. We demonstrate the use of the doublet splitting for 34.2 GHz signal extraction by filtering the sidebands of a modulated optical signal. We also demonstrate that very compact optical modulators operating 2.75 times beyond its resonator linewidth limit may be obtained using the PM triplet splitting, with separation of ∼55 GHz.

  10. Evaluation of high-efficiency gas-liquid contactors for natural gas processing. Semi-annual report, October 1993--March 1994

    SciTech Connect

    Not Available

    1994-05-01

    The objective of this proposed program is to evaluate the potential of rotating gas-liquid contactors for natural gas processing by expanding the currently available database. This expansion will focus on application of this technology to environments representative of those typically encountered in natural gas processing plants. Operational and reliability concerns will be addressed while generating pertinent engineering data relating to the mass-transfer process. Accomplishments for this period are described for Task 6 -- Fluid Dynamic Studies and Task 7 -- Mass Transfer Coefficient Studies.

  11. Evaluation of high-efficiency gas-liquid contactors for natural gas processing. Second semiannual technical progress report, April 1, 1993--September 30, 1993

    SciTech Connect

    Not Available

    1993-12-01

    The objective of this proposed program is to evaluate the potential of rotating gas-liquid contactors for natural gas processing by expanding the currently available database. This expansion will focus on application of this technology to environments representative of those typically encountered in natural gas processing plants. Operational and reliability concerns will be addressed while generating pertinent engineering data relating to the mass-transfer process. Work to be performed this reporting period are: complete all negotiations and processing of agreements; complete assembly, modifications, shakedown, and conduct fluid dynamic studies using the plastic rotary contactor unit; confirmation of project test matrix; and locate, and transport an amine plant and dehydration plant. Accomplishment for this period are presented.

  12. Loss Processes of Metastable Molecules in Cylindrical Cavity

    NASA Astrophysics Data System (ADS)

    Suzuki, Susumu; Itoh, Haruo

    2000-10-01

    Assuming a closed cylindrical volume, the spatiotemporal variation of the density distribution of the metastable molecules N_2(A^3Σ_u^+) in the cylindrical volume are calculated from the diffusion equation analysis under the different reflection coefficients at the flat electrode surfaces and at the cylindrical wall.(S.Suzuki, H.Itoh, N.Ikuta and H.Sekizawa:Jpn. J. Appl. Phys., 39, 1333, 2000)(S. Suzuki, H. Itoh, H. Sekizawa and N. Ikuta: Papers of Technical Meeting on Electrical Discharges, ED-98-128, 17, 1998 (in Japanese)) We solve the diffusion equation by separation of variables using the boundary condition of the third kind that is taken account of the reflection at the electrode surfaces.(S. Suzuki, H. Itoh, N. Ikuta and H. Sekizawa: J. Phys. D : Appl. Phys., 25, 1568, 1992) The obtained solution of the diffusion equation are possible to describe the density profiles along the longitudinal and the radial directions. The influence of the density distribution by the different reflection coefficient at each of electrodes and at the cylindrical wall is investigated. Furthermore, the effective lifetime of the diffusing metastable molecules is also discussed under different reflection coefficients.

  13. Semiannual patents review, July-December 1998

    Treesearch

    Matthew. Stroika; Marguerite. Sykes; Julie. Blankenburg

    1999-01-01

    This review summarizes patents related to paper recycling issued during the last 6 months of 1998. The two online databases used for this search are Claim/US. Patents Abstracts and Derwent World Patents Index. This semiannual feature is intended to inform readers about the latest developments in equipment, chemicals, and technology in the field of paper recycling. This...

  14. 76 FR 40200 - Semiannual Regulatory Flexibility Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-07-07

    ... RESERVE SYSTEM (FRS) Final Rule Stage 445. Regulation Z--Escrow Requirements (Docket No. R-1406) Legal... July 7, 2011 Part XXI Federal Reserve System Semiannual Regulatory Agenda #0;#0;Federal Register / Vol. 76 , No. 130 / Thursday, July 7, 2011 / Unified Agenda#0;#0; ] FEDERAL RESERVE SYSTEM 12 CFR Ch. II...

  15. 76 FR 40144 - Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-07-07

    ... Aeronautics and Space Administration (NASA). ACTION: Semiannual regulatory agenda. SUMMARY: This agenda... INFORMATION: DoD, GSA, and NASA, under their several statutory authorities, jointly issue and maintain the FAR..., Director, Office of Acquisition Policy and Senior Procurement Executive. DOD/GSA/NASA (FAR)--Proposed Rule...

  16. Department of the Interior Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-20

    ... [The Regulatory Plan and Unified Agenda of Federal Regulatory and Deregulatory Actions] Part X Department of the Interior Semiannual Regulatory Agenda ] DEPARTMENT OF THE INTERIOR (DOI) DEPARTMENT OF THE INTERIOR Office of the Secretary 25 CFR Ch. I 30 CFR Chs. II and VII 36 CFR Ch. I 43 CFR Subtitle A, Chs. I and II 48 CFR Ch. 14 50 CFR Chs. I...

  17. Federal Communications Commission Semiannual Regulatory Agenda

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-20

    ... [The Regulatory Plan and Unified Agenda of Federal Regulatory and Deregulatory Actions] Part XIX Federal Communications Commission Semiannual Regulatory Agenda ] FEDERAL COMMUNICATIONS COMMISSION (FCC) FEDERAL COMMUNICATIONS COMMISSION 47 CFR Ch. I Unified Agenda of Federal Regulatory and Deregulatory Actions-Fall 2010 AGENCY: Federal...

  18. Development of an `intelligent grinding wheel` for in-process monitoring of ceramic grinding. Semi-annual report No. 2, March 1, 1997--August 31, 1997

    SciTech Connect

    Malkin, S.; Gao, R.; Guo, C.; Varghese, B.; Pathare, S.

    1997-09-29

    The overall objective of this project is to develop sensor-integrated `intelligent` diamond wheels for grinding ceramics. Such wheels will be `smart` enough to monitor and supervise both the wheel preparation and grinding processes without the need to instrument the machine tool. Intelligent wheels will utilize re-useable cores integrated with two types of sensors: acoustic emission (AE) and dynamic force transducers. Signals from the sensors will be transmitted from a rotating wheel to a receiver by telemetry. Intelligent wheels will be `trained` to recognize distinct characteristics associated with truing, dressing and grinding.

  19. Development of an ``intelligent grinding wheel`` for in-process monitoring of ceramic grinding. Semi-annual report {number_sign}1

    SciTech Connect

    Malkin, S.; Gao, R.; Guo, C.; Varghese, B.; Pathare, S.

    1997-03-27

    The overall objective of this project is to develop sensor-integrated ``intelligent`` diamond wheels for grinding of ceramics. Such wheels will be ``smart`` enough to monitor and supervise both the wheel preparation and grinding processes without the need to instrument the machine tool. Intelligent wheels will utilize reusable cores integrated with two types of sensors: acoustic emission (AE) and dynamic force transducers. Signals from the sensors will be transmitted from a rotating wheel to a receiver by telemetry. Wheels will be ``trained`` to recognize distinct characteristics associated with truing, dressing and grinding.

  20. Nonlinear and Nonsymmetric Single-Molecule Electronic Properties Towards Molecular Information Processing.

    PubMed

    Tamaki, Takashi; Ogawa, Takuji

    2017-09-05

    This review highlights molecular design for nonlinear and nonsymmetric single-molecule electronic properties such as rectification, negative differential resistance, and switching, which are important components of future single-molecule information processing devices. Perspectives on integrated "molecular circuits" are also provided. Nonlinear and nonsymmetric single-molecule electronics can be designed by utilizing (1) asymmetric molecular cores, (2) asymmetric anchoring groups, (3) an asymmetric junction environment, and (4) asymmetric electrode materials. This review mainly focuses on the design of molecular cores.

  1. Annual and semiannual oscillations of stratospheric ozone

    NASA Astrophysics Data System (ADS)

    Maeda, Kaichi

    1987-01-01

    The global structures of annual oscillation (AO) and semiannual oscillation (SAO) of stratospheric ozone are examined by applying spherical harmonic analysis to the ozone data obtained from the Nimbus-7 solar backscattered UV-radiation (SBUV) measurements for the period November 1978 to October 1980. Significant features of the results are: (1) while the stratospheric ozone AO is prevalent only in the polar regions, the ozone SAO prevails both in the equatorial and polar stratospheres; (2) the vertical distribution of the equatorial ozone SAO has a broad maximum of the order of 0.5 (mixing ratio in μg/g) and the maximum appears earlier at high altitude (shifting from May [and November] at 0.3 mb [˜60 km] to November [and May] at 40 mb); (3) above the 40 km level, the maximum of the polar ozone SAO shifts upward towards later phase with altitude with a rate of approximately 10 km/month in both hemispheres; (4) vertical distributions of the polar ozone AOs and SAOs show two peaks in amplitude with a minimum (nodal layer) in between and a rapid phase change with altitude takes place in the respective nodal layers; and (5) the heights of the ozone AO- and SAO-peaks decrease with latitude. The main part of AOs and SAOs of stratospheric ozone including hemispheric asymmetries is ascribable to: (i) temperature dependent ozone photochemistry in the upper stratosphere and mesosphere, (ii) variations of radiation field in the lower stratosphere affected by the annual cycle of solar illumination and temperature in the upper stratosphere and (iii) meridional ozone transport by dynamical processes in the lower stratosphere.

  2. Development of an ``intelligent grinding wheel`` for in-process monitoring of ceramic grinding. Semi-annual report {number_sign}4

    SciTech Connect

    Malkin, S.; Gao, R.; Guo, C.; Varghese, B.; Pathare, S.

    1998-09-30

    The overall objective of this project is to develop sensor-integrated ``intelligent`` diamond wheels for grinding of ceramics. Such wheels will be ``smart`` enough to monitor and supervise both the wheel preparation and grinding processes without the need to instrument the machine tool. Intelligent wheels will utilize re-useable cores integrated with sensors: to measure the acoustic emission (AE) and grinding force. Signals from the sensors will be transmitted from a rotating wheel to a receiver by telemetry. Wheels will be ``trained`` to recognize distinct characteristics associated with truing, dressing and grinding. This overall project is divided into six tasks as follows: (1) development of miniaturized sensors and data transmission system; (2) wheel design and sensor configuration; (3) calibration of the sensor integrated wheel; (4) training of the intelligent wheel; (5) grinding tests; and (6) prototype demonstration. The technical progress is summarized in this report according to the tasks. All activity during this period has been concerned with the first two interrelated tasks, which need to be completed before undertaking the remaining tasks.

  3. A comprehensive glossary of autophagy-related molecules and processes.

    PubMed

    Klionsky, Daniel J; Codogno, Patrice; Cuervo, Ana Maria; Deretic, Vojo; Elazar, Zvulun; Fueyo-Margareto, Juan; Gewirtz, David A; Kroemer, Guido; Levine, Beth; Mizushima, Noboru; Rubinsztein, David C; Thumm, Michael; Tooze, Sharon A

    2010-05-01

    Autophagy is a rapidly expanding field in the sense that our knowledge about the molecular mechanism and its connections to a wide range of physiological processes has increased substantially in the past decade. Similarly, the vocabulary associated with autophagy has grown concomitantly. This fact makes it difficult for readers, even those who work in the field, to keep up with the ever-expanding terminology associated with the various autophagy-related processes. Accordingly, we have developed a comprehensive glossary of autophagy-related terms that is meant to provide a quick reference for researchers who need a brief reminder of the regulatory effects of transcription factors or chemical agents that induce or inhibit autophagy, the function of the autophagy-related proteins, or the role of accessory machinery or structures that are associated with autophagy.

  4. Gaussian Process Model for Collision Dynamics of Complex Molecules.

    PubMed

    Cui, Jie; Krems, Roman V

    2015-08-14

    We show that a Gaussian process model can be combined with a small number (of order 100) of scattering calculations to provide a multidimensional dependence of scattering observables on the experimentally controllable parameters (such as the collision energy or temperature) as well as the potential energy surface (PES) parameters. For the case of Ar-C_{6}H_{6} collisions, we show that 200 classical trajectory calculations are sufficient to provide a ten-dimensional hypersurface, giving the dependence of the collision lifetimes on the collision energy, internal temperature, and eight PES parameters. This can be used for solving the inverse scattering problem, for the efficient calculation of thermally averaged observables, for reducing the error of the molecular dynamics calculations by averaging over the PES variations, and for the analysis of the sensitivity of the observables to individual parameters determining the PES. Trained by a combination of classical and quantum calculations, the model provides an accurate description of the quantum scattering cross sections, even near scattering resonances.

  5. The artificial control of enhanced optical processes in fluorescent molecules on high-emittance metasurfaces

    NASA Astrophysics Data System (ADS)

    Iwanaga, Masanobu; Choi, Bongseok; Miyazaki, Hideki T.; Sugimoto, Yoshimasa

    2016-05-01

    Plasmon-enhanced optical processes in molecules have been extensively but individually explored for Raman scattering, fluorescence, and infrared light absorption. In contrast to recent progress in the interfacial control of hot electrons in plasmon-semiconductor hybrid systems, plasmon-molecule hybrid systems have remained to be a conventional scheme, mainly assuming electric-field enhancement. This was because it was difficult to control the plasmon-molecule interface in a well-controlled manner. We here experimentally substantiate an obvious change in artificially enhanced optical processes of fluorescence/Raman scattering in fluorescent molecules on high-emittance plasmo-photonic metasurfaces with/without a self-assembled monolayer of sub-nm thickness. These results indicate that the enhanced optical processes were successfully selected under artificial configurations without any additional chemical treatment that modifies the molecules themselves. Although Raman-scattering efficiency is generally weak in high-fluorescence-yield molecules, it was found that Raman scattering becomes prominent around the molecular fingerprint range on the metasurfaces, being enhanced by more than 2000 fold at the maximum for reference signals. In addition, the highly and uniformly enhancing metasurfaces are able to serve as two-way functional, reproducible, and wavelength-tunable platforms to detect molecules at very low densities, being distinct from other platforms reported so far. The change in the enhanced signals suggests that energy diagrams in fluorescent molecules are changed in the configuration that includes the metal-molecule interface, meaning that plasmon-molecule hybrid systems are rich in the phenomena beyond the conventional scheme.Plasmon-enhanced optical processes in molecules have been extensively but individually explored for Raman scattering, fluorescence, and infrared light absorption. In contrast to recent progress in the interfacial control of hot electrons

  6. Competitive solvent-molecule interactions govern primary processes of diphenylcarbene in solvent mixtures

    PubMed Central

    Knorr, Johannes; Sokkar, Pandian; Schott, Sebastian; Costa, Paolo; Thiel, Walter; Sander, Wolfram; Sanchez-Garcia, Elsa; Nuernberger, Patrick

    2016-01-01

    Photochemical reactions in solution often proceed via competing reaction pathways comprising intermediates that capture a solvent molecule. A disclosure of the underlying reaction mechanisms is challenging due to the rapid nature of these processes and the intricate identification of how many solvent molecules are involved. Here combining broadband femtosecond transient absorption and quantum mechanics/molecular mechanics simulations, we show for one of the most reactive species, diphenylcarbene, that the decision-maker is not the nearest solvent molecule but its neighbour. The hydrogen bonding dynamics determine which reaction channels are accessible in binary solvent mixtures at room temperature. In-depth analysis of the amount of nascent intermediates corroborates the importance of a hydrogen-bonded complex with a protic solvent molecule, in striking analogy to complexes found at cryogenic temperatures. Our results show that adjacent solvent molecules take the role of key abettors rather than bystanders for the fate of the reactive intermediate. PMID:27708264

  7. Competitive solvent-molecule interactions govern primary processes of diphenylcarbene in solvent mixtures

    NASA Astrophysics Data System (ADS)

    Knorr, Johannes; Sokkar, Pandian; Schott, Sebastian; Costa, Paolo; Thiel, Walter; Sander, Wolfram; Sanchez-Garcia, Elsa; Nuernberger, Patrick

    2016-10-01

    Photochemical reactions in solution often proceed via competing reaction pathways comprising intermediates that capture a solvent molecule. A disclosure of the underlying reaction mechanisms is challenging due to the rapid nature of these processes and the intricate identification of how many solvent molecules are involved. Here combining broadband femtosecond transient absorption and quantum mechanics/molecular mechanics simulations, we show for one of the most reactive species, diphenylcarbene, that the decision-maker is not the nearest solvent molecule but its neighbour. The hydrogen bonding dynamics determine which reaction channels are accessible in binary solvent mixtures at room temperature. In-depth analysis of the amount of nascent intermediates corroborates the importance of a hydrogen-bonded complex with a protic solvent molecule, in striking analogy to complexes found at cryogenic temperatures. Our results show that adjacent solvent molecules take the role of key abettors rather than bystanders for the fate of the reactive intermediate.

  8. Semiannual Report: Oct 1, 2004 - Mar 31, 2005

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-05-002, April, 2005. During this semiannual reporting period, two of our more important activities focused on the efforts of the EPA to make air safe and healthy to breathe, and to help improve homeland security.

  9. Semiannual Report: Apr 1, 2009 - Sept 30, 2009

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-09-036, Nov, 2009. The OIG took numerous steps during the past semiannual reporting period to help the EPA properly and efficiently spend the $7.2 billion it has received under the American Recovery & Reinvestment Act of 2009.

  10. 13 CFR 146.600 - Semi-annual compilation.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... Agency Reports § 146.600 Semi-annual compilation. (a) The head of each agency shall collect and compile... Clerk of the House of Representatives. (h) Agencies shall keep the originals of all disclosure reports... 13 Business Credit and Assistance 1 2013-01-01 2013-01-01 false Semi-annual compilation. 146.600...

  11. 13 CFR 146.600 - Semi-annual compilation.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... Agency Reports § 146.600 Semi-annual compilation. (a) The head of each agency shall collect and compile... Clerk of the House of Representatives. (h) Agencies shall keep the originals of all disclosure reports... 13 Business Credit and Assistance 1 2014-01-01 2014-01-01 false Semi-annual compilation. 146.600...

  12. 13 CFR 146.600 - Semi-annual compilation.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... Agency Reports § 146.600 Semi-annual compilation. (a) The head of each agency shall collect and compile... Clerk of the House of Representatives. (h) Agencies shall keep the originals of all disclosure reports... 13 Business Credit and Assistance 1 2012-01-01 2012-01-01 false Semi-annual compilation. 146.600...

  13. 77 FR 25523 - Semi-Annual Workforce Management Conference

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-04-30

    ... Office of the Secretary Semi-Annual Workforce Management Conference AGENCY: U.S. Department of... of Transportation, Office of the Secretary, announces the second Semi-Annual Workforce Management... for addressing labor/management issues, and safety. Registration Space is limited. Registration will...

  14. 22 CFR 311.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 22 Foreign Relations 2 2010-04-01 2010-04-01 true Semi-annual compilation. 311.600 Section 311.600 Foreign Relations PEACE CORPS NEW RESTRICTIONS ON LOBBYING Agency Reports § 311.600 Semi-annual compilation. (a) The head of each agency shall collect and compile the disclosure reports (see appendix B) and...

  15. 22 CFR 227.600 - Semi-annual compilation.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 22 Foreign Relations 1 2012-04-01 2012-04-01 false Semi-annual compilation. 227.600 Section 227.600 Foreign Relations AGENCY FOR INTERNATIONAL DEVELOPMENT NEW RESTRICTIONS ON LOBBYING Agency Reports § 227.600 Semi-annual compilation. (a) The head of each agency shall collect and compile the...

  16. 24 CFR 87.600 - Semi-annual compilation.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 24 Housing and Urban Development 1 2011-04-01 2011-04-01 false Semi-annual compilation. 87.600 Section 87.600 Housing and Urban Development Office of the Secretary, Department of Housing and Urban Development NEW RESTRICTIONS ON LOBBYING Agency Reports § 87.600 Semi-annual compilation. (a) The head of...

  17. 24 CFR 87.600 - Semi-annual compilation.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 24 Housing and Urban Development 1 2012-04-01 2012-04-01 false Semi-annual compilation. 87.600 Section 87.600 Housing and Urban Development Office of the Secretary, Department of Housing and Urban Development NEW RESTRICTIONS ON LOBBYING Agency Reports § 87.600 Semi-annual compilation. (a) The head of...

  18. 22 CFR 227.600 - Semi-annual compilation.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 22 Foreign Relations 1 2014-04-01 2014-04-01 false Semi-annual compilation. 227.600 Section 227.600 Foreign Relations AGENCY FOR INTERNATIONAL DEVELOPMENT NEW RESTRICTIONS ON LOBBYING Agency Reports § 227.600 Semi-annual compilation. (a) The head of each agency shall collect and compile the...

  19. 24 CFR 87.600 - Semi-annual compilation.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 24 Housing and Urban Development 1 2014-04-01 2014-04-01 false Semi-annual compilation. 87.600 Section 87.600 Housing and Urban Development Office of the Secretary, Department of Housing and Urban Development NEW RESTRICTIONS ON LOBBYING Agency Reports § 87.600 Semi-annual compilation. (a) The head of...

  20. 24 CFR 87.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 24 Housing and Urban Development 1 2010-04-01 2010-04-01 false Semi-annual compilation. 87.600 Section 87.600 Housing and Urban Development Office of the Secretary, Department of Housing and Urban Development NEW RESTRICTIONS ON LOBBYING Agency Reports § 87.600 Semi-annual compilation. (a) The head of...

  1. 24 CFR 87.600 - Semi-annual compilation.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 24 Housing and Urban Development 1 2013-04-01 2013-04-01 false Semi-annual compilation. 87.600 Section 87.600 Housing and Urban Development Office of the Secretary, Department of Housing and Urban Development NEW RESTRICTIONS ON LOBBYING Agency Reports § 87.600 Semi-annual compilation. (a) The head of...

  2. 22 CFR 227.600 - Semi-annual compilation.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 22 Foreign Relations 1 2011-04-01 2011-04-01 false Semi-annual compilation. 227.600 Section 227.600 Foreign Relations AGENCY FOR INTERNATIONAL DEVELOPMENT NEW RESTRICTIONS ON LOBBYING Agency Reports § 227.600 Semi-annual compilation. (a) The head of each agency shall collect and compile the...

  3. 22 CFR 227.600 - Semi-annual compilation.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 22 Foreign Relations 1 2013-04-01 2013-04-01 false Semi-annual compilation. 227.600 Section 227.600 Foreign Relations AGENCY FOR INTERNATIONAL DEVELOPMENT NEW RESTRICTIONS ON LOBBYING Agency Reports § 227.600 Semi-annual compilation. (a) The head of each agency shall collect and compile the...

  4. 22 CFR 311.600 - Semi-annual compilation.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 22 Foreign Relations 2 2011-04-01 2009-04-01 true Semi-annual compilation. 311.600 Section 311.600 Foreign Relations PEACE CORPS NEW RESTRICTIONS ON LOBBYING Agency Reports § 311.600 Semi-annual compilation. (a) The head of each agency shall collect and compile the disclosure reports (see appendix B)...

  5. 22 CFR 311.600 - Semi-annual compilation.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 22 Foreign Relations 2 2014-04-01 2014-04-01 false Semi-annual compilation. 311.600 Section 311.600 Foreign Relations PEACE CORPS NEW RESTRICTIONS ON LOBBYING Agency Reports § 311.600 Semi-annual compilation. (a) The head of each agency shall collect and compile the disclosure reports (see appendix B)...

  6. 22 CFR 311.600 - Semi-annual compilation.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 22 Foreign Relations 2 2012-04-01 2009-04-01 true Semi-annual compilation. 311.600 Section 311.600 Foreign Relations PEACE CORPS NEW RESTRICTIONS ON LOBBYING Agency Reports § 311.600 Semi-annual compilation. (a) The head of each agency shall collect and compile the disclosure reports (see appendix B)...

  7. 22 CFR 311.600 - Semi-annual compilation.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 22 Foreign Relations 2 2013-04-01 2009-04-01 true Semi-annual compilation. 311.600 Section 311.600 Foreign Relations PEACE CORPS NEW RESTRICTIONS ON LOBBYING Agency Reports § 311.600 Semi-annual compilation. (a) The head of each agency shall collect and compile the disclosure reports (see appendix B)...

  8. Synthesis of many different types of organic small molecules using one automated process.

    PubMed

    Li, Junqi; Ballmer, Steven G; Gillis, Eric P; Fujii, Seiko; Schmidt, Michael J; Palazzolo, Andrea M E; Lehmann, Jonathan W; Morehouse, Greg F; Burke, Martin D

    2015-03-13

    Small-molecule synthesis usually relies on procedures that are highly customized for each target. A broadly applicable automated process could greatly increase the accessibility of this class of compounds to enable investigations of their practical potential. Here we report the synthesis of 14 distinct classes of small molecules using the same fully automated process. This was achieved by strategically expanding the scope of a building block-based synthesis platform to include even C(sp3)-rich polycyclic natural product frameworks and discovering a catch-and-release chromatographic purification protocol applicable to all of the corresponding intermediates. With thousands of compatible building blocks already commercially available, many small molecules are now accessible with this platform. More broadly, these findings illuminate an actionable roadmap to a more general and automated approach for small-molecule synthesis.

  9. Processive translocation and DNA unwinding by individual RecBCD enzyme molecules

    NASA Astrophysics Data System (ADS)

    Bianco, Piero R.; Brewer, Laurence R.; Corzett, Michele; Balhorn, Rod; Yeh, Yin; Kowalczykowski, Stephen C.; Baskin, Ronald J.

    2001-01-01

    RecBCD enzyme is a processive DNA helicase and nuclease that participates in the repair of chromosomal DNA through homologous recombination. We have visualized directly the movement of individual RecBCD enzymes on single molecules of double-stranded DNA (dsDNA). Detection involves the optical trapping of solitary, fluorescently tagged dsDNA molecules that are attached to polystyrene beads, and their visualization by fluorescence microscopy. Both helicase translocation and DNA unwinding are monitored by the displacement of fluorescent dye from the DNA by the enzyme. Here we show that unwinding is both continuous and processive, occurring at a maximum rate of 972 +/- 172 base pairs per second (0.30µms-1), with as many as 42,300base pairs of dsDNA unwound by a single RecBCD enzyme molecule. The mean behaviour of the individual RecBCD enzyme molecules corresponds to that observed in bulk solution.

  10. A-D-A small molecules for solution-processed organic photovoltaic cells.

    PubMed

    Ni, Wang; Wan, Xiangjian; Li, Miaomiao; Wang, Yunchuang; Chen, Yongsheng

    2015-03-25

    A-D-A small molecules have drawn more and more attention in solution-processed organic solar cells due to the advantages of a diversity of structures, easy control of energy levels, etc. Recently, a power conversion efficiency of nearly 10% has been achieved through careful material design and device optimization. This feature article reviews recent representative progress in the design and application of A-D-A small molecules in organic photovoltaic cells.

  11. Solution processable organic polymers and small molecules for bulk-heterojunction solar cells: A review

    SciTech Connect

    Sharma, G. D.

    2011-10-20

    Solution processed bulk heterojunction (BHJ) organic solar cells (OSCs) have gained wide interest in past few years and are established as one of the leading next generation photovoltaic technologies for low cost power production. Power conversion efficiencies up to 6% and 6.5% have been reported in the literature for single layer and tandem solar cells, respectively using conjugated polymers. A recent record efficiency about 8.13% with active area of 1.13 cm{sup 2} has been reported. However Solution processable small molecules have been widely applied for photovoltaic (PV) devices in recent years because they show strong absorption properties, and they can be easily purified and deposited onto flexible substrates at low cost. Introducing different donor and acceptor groups to construct donor--acceptor (D--A) structure small molecules has proved to be an efficient way to improve the properties of organic solar cells (OSCs). The power conversion efficiency about 4.4 % has been reported for OSCs based on the small molecules. This review deals with the recent progress of solution processable D--A structure small molecules and discusses the key factors affecting the properties of OSCs based on D--A structure small molecules: sunlight absorption, charge transport and the energy level of the molecules.

  12. Processing of giant graphene molecules by soft-landing mass spectrometry.

    PubMed

    Räder, Hans Joachim; Rouhanipour, Ali; Talarico, Anna Maria; Palermo, Vincenzo; Samorì, Paolo; Müllen, Klaus

    2006-04-01

    The processability of giant (macro)molecules into ultrapure and highly ordered structures at surfaces is of fundamental importance for studying chemical, physical and biological phenomena, as well as their exploitation as active units in the fabrication of hybrid devices. The possibility of handling larger and larger molecules provides access to increasingly complex functions. Unfortunately, larger molecules commonly imply lower processability due to either their low solubility in liquid media or the occurrence of thermal cracking during vacuum sublimation. The search for novel strategies to process and characterize giant building blocks is therefore a crucial goal in materials science. Here we describe a new general route to process, at surfaces, extraordinarily large molecules, that is, synthetic nanographenes, into ultrapure crystalline architectures. Our method relies on the soft-landing of ions generated by solvent-free matrix-assisted laser desorption/ionization (MALDI). The nanographenes are transferred to the gas phase, purified and adsorbed at surfaces. Scanning tunnelling microscopy reveals the formation of ordered nanoscale semiconducting supramolecular architectures. The unique flexibility of this approach allows the growth of ultrapure crystalline films of various systems, including organic, inorganic and biological molecules, and therefore it can be of interest for technological applications in the fields of electronics, (bio)catalysis and nanomedicine.

  13. ARPA Semi-annual Technical Report

    DTIC Science & Technology

    1974-12-30

    Suti(/(/rJ AUPA oLMT-ANNUAL TECHNICAL REPORT RI:AD INSTRUCTIONS BEFORE COMPLETING FORM 3. RECIPIENT’S CATALOG NUMBER *?/S S. TYT»F. OF...ArPA Semi-annua) Technical Report 6/1/74 to 1 1/30/74 O O •83 nil uEEEITDTbl E • > Sponsored by Advanced Research Projects Agency ARPA...mu*immm i i mmmmmmmmmmmmmmmmmmmmmmmmm&mmmmmmmmmmrmmmmmmmammmmmmmmmmmmmmmm i ■nw AD/A-004 915 ARTA SEMI-ANNUAL TECHNICAL

  14. Small molecule solution-processed bulk heterojunction solar cells with inverted structure using porphyrin donor

    NASA Astrophysics Data System (ADS)

    Yamamoto, Takaki; Hatano, Junichi; Nakagawa, Takafumi; Yamaguchi, Shigeru; Matsuo, Yutaka

    2013-01-01

    Utilizing tetraethynyl porphyrin derivative (TE-Por) as a small molecule donor material, we fabricated a small molecule solution-processed bulk heterojunction (BHJ) solar cell with inverted structure, which exhibited 1.6% power conversion efficiency (JSC (short-circuit current) = 4.6 mA/cm2, VOC (open-circuit voltage) = 0.90 V, and FF (fill factor) = 0.39) in the device configuration indium tin oxide/TiOx (titanium sub-oxide)/[6,6]-phenyl-C61-butyric acid methyl ester:TE-Por (5:1)/MoOx (molybdenum sub-oxide)/Au under AM1.5 G illumination at 100 mW/cm2. Without encapsulation, the small molecule solution-processed inverted BHJ solar cell also showed remarkable durability to air, where it kept over 73% of its initial power conversion efficiency after storage for 28 days under ambient atmosphere in the dark.

  15. Single Molecule Dynamics of Lysozyme Processing Distinguishes Linear and Cross-linked Peptidoglycan Substrates

    PubMed Central

    Choi, Yongki; Moody, Issa S.; Sims, Patrick C.; Hunt, Steven R.; Corso, Brad L.; Seitz, David E.; Blaszcazk, Larry C.; Collins, Philip G.; Weiss, Gregory A.

    2012-01-01

    The dynamic processivity of individual T4 lysozyme molecules was monitored in the presence of either linear or cross-linked peptidoglycan substrates. Single molecule monitoring was accomplished using a novel electronic technique in which lysozyme molecules were tethered to single-walled carbon nanotube field effect transistors through pyrene linker molecules. The substrate driven, hinge bending motions of lysozyme induced dynamic electronic signals in the underlying transistor, allowing long-term monitoring of the same molecule without the limitations of optical quenching or bleaching. For both substrates, lysozyme exhibits processive slow turnover rates of 20 – 50 s−1 and rapid 200 – 400 s−1 non-productive motions. The latter, nonproductive binding events occupy 43% of the enzyme’s time in the presence of the cross-linked peptidoglycan, but only 7% with the linear substrate. Furthermore, lysozyme catalyzed the hydrolysis of glycosidic bonds to the end of the linear substrate, but appears to sidestep the peptide cross-links to zigzag through the wild-type substrate. PMID:22239748

  16. A Simple Reduction Process for the Normal Vibrational Modes Occurring in Linear Molecules

    ERIC Educational Resources Information Center

    McInerny, William

    2005-01-01

    The students in molecular spectroscopy courses are often required to determine the permitted normal vibrations for linear molecules that belong to particular groups. The reducible group representations generated by the use of Cartesian coordinates can be reduced by the use of a simple algebraic process applied to the group representations. The…

  17. Preface: Photon and fast Ion induced Processes in Atoms, MOlecules and Nanostructures (PIPAMON)

    NASA Astrophysics Data System (ADS)

    Kövér, László

    2016-02-01

    This Special Issue contains selected papers of contributions presented in the International Workshop on Photon and fast Ion induced Processes in Atoms, MOlecules and Nanostructures (PIPAMON), held between March 24 and 26, 2015 in Debrecen, Hungary. The venue, the Aquaticum Thermal and Wellness Hotel provided a pleasant ;all-under-one-roof; environment for the event.

  18. A Simple Reduction Process for the Normal Vibrational Modes Occurring in Linear Molecules

    ERIC Educational Resources Information Center

    McInerny, William

    2005-01-01

    The students in molecular spectroscopy courses are often required to determine the permitted normal vibrations for linear molecules that belong to particular groups. The reducible group representations generated by the use of Cartesian coordinates can be reduced by the use of a simple algebraic process applied to the group representations. The…

  19. Ionization Properties of Molecules Commonly Used for Plasma Processing of Semi-Conductors

    NASA Technical Reports Server (NTRS)

    Srivastava, S. K.

    2000-01-01

    Two types of processes are involved in plasma processing of semi-conductors. They are: plasma etching or cleaning and plasma deposition of the semi-conducting materials. For plasma etching of semi-conductors mostly halogen containing gases are used as additives to gases such as O2 and N2. For plasma deposition gases such as C2H2, SiH4, Si2H6 have been tested in the past. For an optimal performance of a reactor it is important to model the plasma. In this modeling effort electron impact excitation and ionization cross sections play a central role. For ionization balance calculations values of ionization cross sections are needed. Ion molecule reactions determine the ultimate composition of the plasma. Recently it has been discovered that the by products of many of these plasmas are per fluro hydrocarbons (PFCs) which are highly infrared absorbing species and have long life times in the atmosphere. They cause global warming. A lot of research is being pursued at the present time to find alternative molecules which do not produce global warming gases as the and product of the plasma processing reactor. There is also interest in the ionization and dissociative ionization properties of these molecules from the point view of the plasma abatement of the pollutant gases at the exhaust of the semi-conductor processing reactors. At the conference ionization and dissociative ionization properties of some of these molecules will be presented.

  20. Ionization Properties of Molecules Commonly Used for Plasma Processing of Semi-Conductors

    NASA Technical Reports Server (NTRS)

    Srivastava, S. K.

    2000-01-01

    Two types of processes are involved in plasma processing of semi-conductors. They are: plasma etching or cleaning and plasma deposition of the semi-conducting materials. For plasma etching of semi-conductors mostly halogen containing gases are used as additives to gases such as O2 and N2. For plasma deposition gases such as C2H2, SiH4, Si2H6 have been tested in the past. For an optimal performance of a reactor it is important to model the plasma. In this modeling effort electron impact excitation and ionization cross sections play a central role. For ionization balance calculations values of ionization cross sections are needed. Ion molecule reactions determine the ultimate composition of the plasma. Recently it has been discovered that the by products of many of these plasmas are per fluro hydrocarbons (PFCs) which are highly infrared absorbing species and have long life times in the atmosphere. They cause global warming. A lot of research is being pursued at the present time to find alternative molecules which do not produce global warming gases as the and product of the plasma processing reactor. There is also interest in the ionization and dissociative ionization properties of these molecules from the point view of the plasma abatement of the pollutant gases at the exhaust of the semi-conductor processing reactors. At the conference ionization and dissociative ionization properties of some of these molecules will be presented.

  1. Note on the semiannual effect in the thermosphere.

    NASA Technical Reports Server (NTRS)

    Volland, H.; Mayr, H. G.

    1973-01-01

    There are two external heat sources known that oscillate with a period of half a year: (1) the solar heat input associated with the semiannual migration of the subsolar point between both hemispheres, which peaks at the equator and which is small in comparison with that in the annual component, and (2) the auroral heat input associated with the semiannual component in the occurrence of magnetic storms. An attempt is made to show that a number of apparent conflicts in the description and interpretation of the semiannual effect can be resolved by considering some of the dynamic properties of the thermosphere.

  2. Investigation of fragmentation processes following core photoionization of organometallic molecules in the vapor phase

    NASA Astrophysics Data System (ADS)

    Nagaoka, Shin-ichi; Suzuki, Shinzo; Koyano, Inosuke

    1988-04-01

    Ionic fragmentation processes following ( n - 1)d core level photoionization of organometallic molecules have been studied in the vapor phase using synchrotron radiation. Results on tetramethyllead, tetramethyltin and tetramethylgermanium are reported. The threshold electron spectra and the photoionization efficiency curves of these molecules are presented and discussed. It is concluded that the ( n - 1)d 9 core-hole state of M(CH 3) 4 (M  Pb, Sn or Ge) is split into five sublevels owing to both the spin-orbi and the electrostatic perturbations by the methyl groups, and that the M + ions are predominantly produced following ( n - 1)d photoionization.

  3. Processing of joint molecule intermediates by structure-selective endonucleases during homologous recombination in eukaryotes.

    PubMed

    Schwartz, Erin K; Heyer, Wolf-Dietrich

    2011-04-01

    Homologous recombination is required for maintaining genomic integrity by functioning in high-fidelity repair of DNA double-strand breaks and other complex lesions, replication fork support, and meiotic chromosome segregation. Joint DNA molecules are key intermediates in recombination and their differential processing determines whether the genetic outcome is a crossover or non-crossover event. The Holliday model of recombination highlights the resolution of four-way DNA joint molecules, termed Holliday junctions, and the bacterial Holliday junction resolvase RuvC set the paradigm for the mechanism of crossover formation. In eukaryotes, much effort has been invested in identifying the eukaryotic equivalent of bacterial RuvC, leading to the discovery of a number of DNA endonucleases, including Mus81-Mms4/EME1, Slx1-Slx4/BTBD12/MUS312, XPF-ERCC1, and Yen1/GEN1. These nucleases exert different selectivity for various DNA joint molecules, including Holliday junctions. Their mutant phenotypes and distinct species-specific characteristics expose a surprisingly complex system of joint molecule processing. In an attempt to reconcile the biochemical and genetic data, we propose that nicked junctions constitute important in vivo recombination intermediates whose processing determines the efficiency and outcome (crossover/non-crossover) of homologous recombination.

  4. Solution-processed small-molecule solar cells: breaking the 10% power conversion efficiency.

    PubMed

    Liu, Yongsheng; Chen, Chun-Chao; Hong, Ziruo; Gao, Jing; Yang, Yang Michael; Zhou, Huanping; Dou, Letian; Li, Gang; Yang, Yang

    2013-11-28

    A two-dimensional conjugated small molecule (SMPV1) was designed and synthesized for high performance solution-processed organic solar cells. This study explores the photovoltaic properties of this molecule as a donor, with a fullerene derivative as an acceptor, using solution processing in single junction and double junction tandem solar cells. The single junction solar cells based on SMPV1 exhibited a certified power conversion efficiency of 8.02% under AM 1.5 G irradiation (100 mW cm(-2)). A homo-tandem solar cell based on SMPV1 was constructed with a novel interlayer (or tunnel junction) consisting of bilayer conjugated polyelectrolyte, demonstrating an unprecedented PCE of 10.1%. These results strongly suggest solution-processed small molecular materials are excellent candidates for organic solar cells.

  5. Information entropy of activation process: Application for low-temperature fluctuations of a myoglobin molecule

    NASA Astrophysics Data System (ADS)

    Stepanov, A. V.

    2015-11-01

    Activation process for unimolecular reaction has been considered by means of radiation theory. The formulae of information entropy of activation have been derived for the Boltzmann-Arrhenius model and the activation process model (APM). The physical meaning of this entropy has been determined. It is a measure of conversion of thermal radiation energy to mechanical energy that moves atoms in a molecule during elementary activation act. It is also a measure of uncertainty of this energy conversion. The uncertainty is due to unevenness of distribution function representing the activation process. It has been shown that Arrhenius dependence is caused by the entropy change. Efficiency comparison of the two models under consideration for low-temperature fluctuations of a myoglobin molecule structure shows that the APM should be favored over the Boltzmann-Arrhenius one.

  6. Single-molecule dataset (SMD): a generalized storage format for raw and processed single-molecule data.

    PubMed

    Greenfeld, Max; van de Meent, Jan-Willem; Pavlichin, Dmitri S; Mabuchi, Hideo; Wiggins, Chris H; Gonzalez, Ruben L; Herschlag, Daniel

    2015-01-16

    Single-molecule techniques have emerged as incisive approaches for addressing a wide range of questions arising in contemporary biological research [Trends Biochem Sci 38:30-37, 2013; Nat Rev Genet 14:9-22, 2013; Curr Opin Struct Biol 2014, 28C:112-121; Annu Rev Biophys 43:19-39, 2014]. The analysis and interpretation of raw single-molecule data benefits greatly from the ongoing development of sophisticated statistical analysis tools that enable accurate inference at the low signal-to-noise ratios frequently associated with these measurements. While a number of groups have released analysis toolkits as open source software [J Phys Chem B 114:5386-5403, 2010; Biophys J 79:1915-1927, 2000; Biophys J 91:1941-1951, 2006; Biophys J 79:1928-1944, 2000; Biophys J 86:4015-4029, 2004; Biophys J 97:3196-3205, 2009; PLoS One 7:e30024, 2012; BMC Bioinformatics 288 11(8):S2, 2010; Biophys J 106:1327-1337, 2014; Proc Int Conf Mach Learn 28:361-369, 2013], it remains difficult to compare analysis for experiments performed in different labs due to a lack of standardization. Here we propose a standardized single-molecule dataset (SMD) file format. SMD is designed to accommodate a wide variety of computer programming languages, single-molecule techniques, and analysis strategies. To facilitate adoption of this format we have made two existing data analysis packages that are used for single-molecule analysis compatible with this format. Adoption of a common, standard data file format for sharing raw single-molecule data and analysis outcomes is a critical step for the emerging and powerful single-molecule field, which will benefit both sophisticated users and non-specialists by allowing standardized, transparent, and reproducible analysis practices.

  7. Semiannual Report: Apr 1, 2003 - Sept 30, 2003

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-K-03-002, Nov, 2003. We recently issued a major report examining how EPA responded to the crisis at the World Trade Center following the terrorist attacks on September 11, 2001.

  8. Semiannual Report: Oct 1, 2010 - Mar 31, 2011

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-11-005, May, 2011. The dedicated staff of the OIG will continue to do its best to ensure that Agency programs achieve their intended results and that its funds are properly expended.

  9. Semiannual Report: Oct 1, 2009 - Mar 31, 2010

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-10-004, May, 2010. EPA continues to face challenges in using its funds and accomplishing its mission in an efficient and effective manner, particularly concerning Recovery Act projects.

  10. Semiannual Report: Oct 1, 2014 - Mar 31, 2015

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-15-001, May, 2015. This report contains numerous examples where the agency could have put funds to better use, done more to improve efficiencies, or improved business practices and accountability.

  11. Semiannual Report: Oct 1, 2012 - Mar 31, 2013

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-13-001, May, 2013. The EPA and the OIG remain responsible stewards of taxpayer dollars, striving to add value and transparency and assisting the agency in accomplishing its mission.

  12. 48 CFR 1422.406-13 - Semiannual enforcement reports.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... Involving Construction 1422.406-13 Semiannual enforcement reports. PAM is responsible for submitting the report required by FAR 22.406-13 to DOL. In accordance with DOL memoranda, PAM requires bureaus to...

  13. Semiannual Report: Apr 1, 2012 - Sept 30, 2012

    EPA Pesticide Factsheets

    Semiannual Report #EPA‐350‐R‐12‐003, Nov, 2012. Our work will continue to add value and assist the Agency in accomplishing its mission of safeguarding the health of the American people and protecting the environment.

  14. CSB Semiannual Report: Apr 1, 2012 - Sept 30, 2012

    EPA Pesticide Factsheets

    Nov 2012. This CSB Semiannual Report contains the results of our work related to the U.S. Chemical Safety and Hazard Investigation Board (CSB) for the reporting period April 1, 2012, through Sept 30, 2012.

  15. Semiannual Report: Oct 1, 2002 - Mar 31, 2003

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-K-03-001, May, 2003. The OIG completed a number of investigations, audits, and evaluations that demonstrate our commitment to help EPA better deliver cost-effective solutions to pressing environmental problems.

  16. Semiannual Report: Apr 1, 2015 - Sept 30, 2015

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-15-002, Nov, 2015. During this period, witnesses from the EPA OIG testified at congressional hearings, and the OIG produced reports in response to congressional requests, demonstrating their continued interest in our work.

  17. First Semiannual Report of the National Aeronautics and Space Administration

    NASA Technical Reports Server (NTRS)

    Glennan, T. Keith

    1959-01-01

    The First Semiannual Report of the National Aeronautics and Space Administration (NASA) is submitted to Congress pursuant to section 206 (a) of the National Aeronautics and Space Act of 1958 (Public Law 85-568) to provide for research into problems of flight within and outside the Earth's atmosphere, which states: The Administration shall submit to the President for transmittal to Congress, semiannually and at such other times as it deems desirable, a report on its activities and accomplishments.

  18. Role of impurity molecules in radiation-initiated processes in solid carbohydrates

    SciTech Connect

    Kavetskii, V.G.; Yudin, I.V.

    1992-09-01

    Extension of the use of ionizing radiation for sterilization of medicinal preparations is stimulating the study of radiation-initiated processes in solid polyhydroxyl matrixes containing impurities of various organic substances. Such investigations make it possible to establish common characteristics of the effect of impurity molecules on the radiolysis of organic crystals. The materials of the investigation were lactose and rhamnose, precipitated by slow evaporation of the solvent from saturated aqueous solutions with different dihydroxyacetone contents. 4 refs., 1 fig.

  19. Testing Landscape Theory for Biomolecular Processes with Single Molecule Fluorescence Spectroscopy

    NASA Astrophysics Data System (ADS)

    Truex, Katherine; Chung, Hoi Sung; Louis, John M.; Eaton, William A.

    2015-07-01

    Although Kramers' theory for diffusive barrier crossing on a 1D free energy profile plays a central role in landscape theory for complex biomolecular processes, it has not yet been rigorously tested by experiment. Here we test this 1D diffusion scenario with single molecule fluorescence measurements of DNA hairpin folding. We find an upper bound of 2.5 μ s for the average transition path time, consistent with the predictions by theory with parameters determined from optical tweezer measurements.

  20. An anchor-dependent molecular docking process for docking small flexible molecules into rigid protein receptors.

    PubMed

    Lin, Thy-Hou; Lin, Guan-Liang

    2008-08-01

    A molecular docking method designated as ADDock, anchor-dependent molecular docking process for docking small flexible molecules into rigid protein receptors, is presented in this article. ADDock makes the bond connection lists for atoms based on anchors chosen for building molecular structures for docking small flexible molecules or ligands into rigid active sites of protein receptors. ADDock employs an extended version of piecewise linear potential for scoring the docked structures. Since no translational motion for small molecules is implemented during the docking process, ADDock searches the best docking result by systematically changing the anchors chosen, which are usually the single-edge connected nodes or terminal hydrogen atoms of ligands. ADDock takes intact ligand structures generated during the docking process for computing the docked scores; therefore, no energy minimization is required in the evaluation phase of docking. The docking accuracy by ADDock for 92 receptor-ligand complexes docked is 91.3%. All these complexes have been docked by other groups using other docking methods. The receptor-ligand steric interaction energies computed by ADDock for some sets of active and inactive compounds selected and docked into the same receptor active sites are apparently separated. These results show that based on the steric interaction energies computed between the docked structures and receptor active sites, ADDock is able to separate active from inactive compounds for both being docked into the same receptor.

  1. Surface-Gasification Materials Program. Semiannual progress report for the period ending March 31, 1983

    SciTech Connect

    Bradley, R.A.

    1983-05-01

    Contents of this semiannual report include the following: introduction; (1) plant materials surveillance tests (Illinois Institute of Technology); (2) slagging gasifier refractories - appliction/evaluation (Argonne National Laboratory); (3) protective clothing and claddings - application/evaluation (ANL); (4) ceramic application technology - brittle material design (LANL); (5) advanced pressure vessel materials technology (ORNL); (6) electroslag component casting (ORNL); (7) cost reduction of the electroslag casting manufacturing process (CMU); (8) materials review and component failure analysis in support of coal gasification processes and plants (ANL); (9) process plant materials review, evaluation, and support (ORNL).

  2. 40 CFR 60.1420 - If a semiannual report is required, when must I submit it?

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... first half of a calendar year, submit your semiannual report by August 1 of that year. (b) For data you collected during the second half of the calendar year, submit your semiannual report by February 1 of...

  3. Formation and Destruction Processes of Interstellar Dust: From Organic Molecules to carbonaceous Grains

    NASA Technical Reports Server (NTRS)

    Salama, F.; Biennier, L.

    2004-01-01

    The study of the formation and destruction processes of cosmic dust is essential to understand and to quantify the budget of extraterrestrial organic molecules. interstellar dust presents a continuous size distribution from large molecules, radicals and ions to nanometer-sized particles to micron-sized grains. The lower end of the dust size distribution is thought to be responsible for the ubiquitous spectral features that are seen in emission in the IR (UIBs) and in absorption in the visible (DIBs). The higher end of the dust-size distribution is thought to be responsible for the continuum emission plateau that is seen in the IR and for the strong absorption seen in the interstellar UV extinction curve. All these spectral signatures are characteristic of cosmic organic materials that are ubiquitous and present in various forms from gas-phase molecules to solid-state grains. Although dust with all its components plays an important role in the evolution of interstellar chemistry and in the formation of organic molecules, little is known on the formation and destruction processes of dust. Recent space observations in the UV (HST) and in the IR (ISO) help place size constraints on the molecular component of carbonaceous IS dust and indicate that small (ie., subnanometer) PAHs cannot contribute significantly to the IS features in the UV and in the IR. Studies of large molecular and nano-sized IS dust analogs formed from PAH precursors have been performed in our laboratory under conditions that simulate diffuse ISM environments (the particles are cold -100 K vibrational energy, isolated in the gas phase and exposed to a high-energy discharge environment in a cold plasma). The species (molecules, molecular fragments, ions, nanoparticles, etc) formed in the pulsed discharge nozzle (PDN) plasma source are detected with a high-sensitivity cavity ring-down spectrometer (CRDS). We will present new experimental results that indicate that nanoparticles are generated in the

  4. Formation and Destruction Processes of Interstellar Dust: From Organic Molecules to carbonaceous Grains

    NASA Technical Reports Server (NTRS)

    Salama, F.; Biennier, L.

    2004-01-01

    The study of the formation and destruction processes of cosmic dust is essential to understand and to quantify the budget of extraterrestrial organic molecules. interstellar dust presents a continuous size distribution from large molecules, radicals and ions to nanometer-sized particles to micron-sized grains. The lower end of the dust size distribution is thought to be responsible for the ubiquitous spectral features that are seen in emission in the IR (UIBs) and in absorption in the visible (DIBs). The higher end of the dust-size distribution is thought to be responsible for the continuum emission plateau that is seen in the IR and for the strong absorption seen in the interstellar UV extinction curve. All these spectral signatures are characteristic of cosmic organic materials that are ubiquitous and present in various forms from gas-phase molecules to solid-state grains. Although dust with all its components plays an important role in the evolution of interstellar chemistry and in the formation of organic molecules, little is known on the formation and destruction processes of dust. Recent space observations in the UV (HST) and in the IR (ISO) help place size constraints on the molecular component of carbonaceous IS dust and indicate that small (ie., subnanometer) PAHs cannot contribute significantly to the IS features in the UV and in the IR. Studies of large molecular and nano-sized IS dust analogs formed from PAH precursors have been performed in our laboratory under conditions that simulate diffuse ISM environments (the particles are cold -100 K vibrational energy, isolated in the gas phase and exposed to a high-energy discharge environment in a cold plasma). The species (molecules, molecular fragments, ions, nanoparticles, etc) formed in the pulsed discharge nozzle (PDN) plasma source are detected with a high-sensitivity cavity ring-down spectrometer (CRDS). We will present new experimental results that indicate that nanoparticles are generated in the

  5. Gaussian process model for extrapolation of scattering observables for complex molecules: From benzene to benzonitrile

    SciTech Connect

    Cui, Jie; Krems, Roman V.; Li, Zhiying

    2015-10-21

    We consider a problem of extrapolating the collision properties of a large polyatomic molecule A–H to make predictions of the dynamical properties for another molecule related to A–H by the substitution of the H atom with a small molecular group X, without explicitly computing the potential energy surface for A–X. We assume that the effect of the −H →−X substitution is embodied in a multidimensional function with unknown parameters characterizing the change of the potential energy surface. We propose to apply the Gaussian Process model to determine the dependence of the dynamical observables on the unknown parameters. This can be used to produce an interval of the observable values which corresponds to physical variations of the potential parameters. We show that the Gaussian Process model combined with classical trajectory calculations can be used to obtain the dependence of the cross sections for collisions of C{sub 6}H{sub 5}CN with He on the unknown parameters describing the interaction of the He atom with the CN fragment of the molecule. The unknown parameters are then varied within physically reasonable ranges to produce a prediction uncertainty of the cross sections. The results are normalized to the cross sections for He — C{sub 6}H{sub 6} collisions obtained from quantum scattering calculations in order to provide a prediction interval of the thermally averaged cross sections for collisions of C{sub 6}H{sub 5}CN with He.

  6. Gaussian process model for extrapolation of scattering observables for complex molecules: From benzene to benzonitrile

    NASA Astrophysics Data System (ADS)

    Cui, Jie; Li, Zhiying; Krems, Roman V.

    2015-10-01

    We consider a problem of extrapolating the collision properties of a large polyatomic molecule A-H to make predictions of the dynamical properties for another molecule related to A-H by the substitution of the H atom with a small molecular group X, without explicitly computing the potential energy surface for A-X. We assume that the effect of the -H →-X substitution is embodied in a multidimensional function with unknown parameters characterizing the change of the potential energy surface. We propose to apply the Gaussian Process model to determine the dependence of the dynamical observables on the unknown parameters. This can be used to produce an interval of the observable values which corresponds to physical variations of the potential parameters. We show that the Gaussian Process model combined with classical trajectory calculations can be used to obtain the dependence of the cross sections for collisions of C6H5CN with He on the unknown parameters describing the interaction of the He atom with the CN fragment of the molecule. The unknown parameters are then varied within physically reasonable ranges to produce a prediction uncertainty of the cross sections. The results are normalized to the cross sections for He — C6H6 collisions obtained from quantum scattering calculations in order to provide a prediction interval of the thermally averaged cross sections for collisions of C6H5CN with He.

  7. Gaussian process model for extrapolation of scattering observables for complex molecules: From benzene to benzonitrile.

    PubMed

    Cui, Jie; Li, Zhiying; Krems, Roman V

    2015-10-21

    We consider a problem of extrapolating the collision properties of a large polyatomic molecule A-H to make predictions of the dynamical properties for another molecule related to A-H by the substitution of the H atom with a small molecular group X, without explicitly computing the potential energy surface for A-X. We assume that the effect of the -H →-X substitution is embodied in a multidimensional function with unknown parameters characterizing the change of the potential energy surface. We propose to apply the Gaussian Process model to determine the dependence of the dynamical observables on the unknown parameters. This can be used to produce an interval of the observable values which corresponds to physical variations of the potential parameters. We show that the Gaussian Process model combined with classical trajectory calculations can be used to obtain the dependence of the cross sections for collisions of C6H5CN with He on the unknown parameters describing the interaction of the He atom with the CN fragment of the molecule. The unknown parameters are then varied within physically reasonable ranges to produce a prediction uncertainty of the cross sections. The results are normalized to the cross sections for He - C6H6 collisions obtained from quantum scattering calculations in order to provide a prediction interval of the thermally averaged cross sections for collisions of C6H5CN with He.

  8. Multiscale Molecular Simulation of Solution Processing of SMDPPEH: PCBM Small-Molecule Organic Solar Cells.

    PubMed

    Lee, Cheng-Kuang; Pao, Chun-Wei

    2016-08-17

    Solution-processed small-molecule organic solar cells are a promising renewable energy source because of their low production cost, mechanical flexibility, and light weight relative to their pure inorganic counterparts. In this work, we developed a coarse-grained (CG) Gay-Berne ellipsoid molecular simulation model based on atomistic trajectories from all-atom molecular dynamics simulations of smaller system sizes to systematically study the nanomorphology of the SMDPPEH/PCBM/solvent ternary blend during solution processing, including the blade-coating process by applying external shear to the solution. With the significantly reduced overall system degrees of freedom and computational acceleration from GPU, we were able to go well beyond the limitation of conventional all-atom molecular simulations with a system size on the order of hundreds of nanometers with mesoscale molecular detail. Our simulations indicate that, similar to polymer solar cells, the optimal blending ratio in small-molecule organic solar cells must provide the highest specific interfacial area for efficient exciton dissociation, while retaining balanced hole/electron transport pathway percolation. We also reveal that blade-coating processes have a significant impact on nanomorphology. For given donor/acceptor blending ratios, applying an external shear force can effectively promote donor/acceptor phase segregation and stacking in the SMDPPEH domains. The present study demonstrated the capability of an ellipsoid-based coarse-grained model for studying the nanomorphology evolution of small-molecule organic solar cells during solution processing/blade-coating and provided links between fabrication protocols and device nanomorphologies.

  9. 31 CFR 359.11 - What is the semiannual inflation rate?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 31 Money and Finance: Treasury 2 2010-07-01 2010-07-01 false What is the semiannual inflation rate... BONDS, SERIES I General Information § 359.11 What is the semiannual inflation rate? The index used to determine the semiannual inflation rate is the non-seasonally adjusted CPI-U (the Consumer Price Index...

  10. 31 CFR Appendix B to Part 359 - Composite Semiannual Rate Period Table

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 31 Money and Finance:Treasury 2 2013-07-01 2013-07-01 false Composite Semiannual Rate Period Table... SAVINGS BONDS, SERIES I Pt. 359, App. B Appendix B to Part 359—Composite Semiannual Rate Period Table 1. What months make up the composite semiannual rate period? You may use the following table to find when...

  11. 31 CFR Appendix B to Part 359 - Composite Semiannual Rate Period Table

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 31 Money and Finance: Treasury 2 2010-07-01 2010-07-01 false Composite Semiannual Rate Period... SAVINGS BONDS, SERIES I Pt. 359, App. B Appendix B to Part 359—Composite Semiannual Rate Period Table 1. What months make up the composite semiannual rate period? You may use the following table to find when...

  12. 31 CFR Appendix B to Part 359 - Composite Semiannual Rate Period Table

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 31 Money and Finance:Treasury 2 2012-07-01 2012-07-01 false Composite Semiannual Rate Period Table... SAVINGS BONDS, SERIES I Pt. 359, App. B Appendix B to Part 359—Composite Semiannual Rate Period Table 1. What months make up the composite semiannual rate period? You may use the following table to find when...

  13. 31 CFR Appendix B to Part 359 - Composite Semiannual Rate Period Table

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 31 Money and Finance:Treasury 2 2011-07-01 2011-07-01 false Composite Semiannual Rate Period Table... SAVINGS BONDS, SERIES I Pt. 359, App. B Appendix B to Part 359—Composite Semiannual Rate Period Table 1. What months make up the composite semiannual rate period? You may use the following table to find when...

  14. 31 CFR 359.11 - What is the semiannual inflation rate?

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 31 Money and Finance:Treasury 2 2011-07-01 2011-07-01 false What is the semiannual inflation rate... BONDS, SERIES I General Information § 359.11 What is the semiannual inflation rate? The index used to determine the semiannual inflation rate is the non-seasonally adjusted CPI-U (the Consumer Price Index...

  15. Molecule formation and infrared emission in fast interstellar shocks. I Physical processes

    NASA Technical Reports Server (NTRS)

    Hollenbach, D.; Mckee, C. F.

    1979-01-01

    The paper analyzes the structure of fast shocks incident upon interstellar gas of ambient density from 10 to the 7th per cu cm, while focusing on the problems of formation and destruction of molecules and infrared emission in the cooling, neutral post shock gas. It is noted that such fast shocks initially dissociate almost all preexisting molecules. Discussion covers the physical processes which determine the post shock structure between 10 to the 4 and 10 to the 2 K. It is shown that the chemistry of important molecular coolants H2, CO, OH, and H2O, as well as HD and CH, is reduced to a relatively small set of gas phase and grain surface reactions. Also, the chemistry follows the slow conversion of atomic hydrogen into H2, which primarily occurs on grain surfaces. The dependence of this H2 formation rate on grain and gas temperatures is examined and the survival of grains behind fast shocks is discussed. Post shock heating and cooling rates are calculated and an appropriate, analytic, universal cooling function is developed for molecules other than hydrogen which includes opacities from both the dust and the lines.

  16. Finding Order in Randomness: Single-Molecule Studies Reveal Stochastic RNA Processing | Center for Cancer Research

    Cancer.gov

    Producing a functional eukaryotic messenger RNA (mRNA) requires the coordinated activity of several large protein complexes to initiate transcription, elongate nascent transcripts, splice together exons, and cleave and polyadenylate the 3’ end. Kinetic competition between these various processes has been proposed to regulate mRNA maturation, but this model could lead to multiple, randomly determined, or stochastic, pathways or outcomes. Regulatory checkpoints have been suggested as a means of ensuring quality control. However, current methods have been unable to tease apart the contributions of these processes at a single gene or on a time scale that could provide mechanistic insight. To begin to investigate the kinetic relationship between transcription and splicing, Daniel Larson, Ph.D., of CCR’s Laboratory of Receptor Biology and Gene Expression, and his colleagues employed a single-molecule RNA imaging approach to monitor production and processing of a human β-globin reporter gene in living cells.

  17. Characteristics of the Johari-Goldstein process in rigid asymmetric molecules.

    PubMed

    Fragiadakis, D; Roland, C M

    2013-10-01

    Molecular dynamics simulations were carried out on a Lennard-Jones binary mixture of rigid (fixed bond length) diatomic molecules. The translational and rotational correlation functions, and the corresponding susceptibilities, exhibit two relaxation processes: the slow structural relaxation (α dynamics) and a higher frequency secondary relaxation. The latter is a Johari-Goldstein (JG) process, by its definition of involving all parts of the molecule. It shows several properties characteristic of the JG relaxation: (1) merging with the α relaxation at high temperature; (2) a change in temperature dependence of its relaxation strength on vitrification; (3) a separation in frequency from the α peak that correlates with the breadth of the α dispersion; and (4) sensitivity to volume, pressure, and physical aging. These properties can be used to determine whether a secondary relaxation in a real material is an authentic JG process, rather than more trivial motion involving intramolecular degrees of freedom. The latter has no connection to the glass transition, whereas the JG relaxation is closely related to structural relaxation, and thus can provide new insights into the phenomenon.

  18. Electronic measurements of single-molecule processing by DNA polymerase I

    NASA Astrophysics Data System (ADS)

    Choi, Yongki; Olsen, Tivoli; Gul, Tolga; Corso, Brad; Dong, Chengjun; Brown, William; Weiss, Gregory; Collins, Philip

    2013-03-01

    A single-molecule nanocircuit technique is applied to continuously monitor DNA replication activity by the enzyme DNA polymerase I (Pol I). Using single copies of Pol I bound to a single-walled carbon nanotube device, an electrical signal was generated to reveal enzymatic function and dynamic variability. Continuous, single-molecule-resolution recordings were obtained for Pol I processing homopolymeric DNA templates over 10 minutes and through >10,000 DNA replication events. Processivity of up to 40 nucleotide bases was directly observed, and statistical analysis of the recordings determined key kinetic parameters for the enzyme's open and closed conformations. We observe that the closed complex forms a phosphodiester bond in a highly efficient process >99.8% of the time, with a mean duration of only 0.3 ms for all four dNTPs. The rate-limiting step for replication occurs during the enzyme's open state, but with a duration that is nearly twice as long for dATP or dTTP incorporation than for dCTP or dGTP. Taken together, the results provide a wealth of new information complementing prior work on the mechanism and dynamics of DNA polymerase.

  19. Costimulatory Molecule CD28 Participates in the Process of Embryo Implantation in Mice

    PubMed Central

    Liu, Shangjing; He, Junlin; Chen, Xuemei; Ding, Yubin; Geng, Yanqing; Wu, Mengyun

    2014-01-01

    Embryo implantation is a complex process requiring reciprocal interactions between implantation-competent blastocysts and receptive uteri. Accumulating literatures have indicated that T cells are involved in this process. The first signal mediated by T-cell receptor/CD3 complex and the second signal delivered by costimulatory molecules are essential for the differentiation of T cell into an effector cell. Expression and function of CD28, an important costimulatory molecule, during early pregnancy in mice is still unclear. In the present study, we investigated the expression pattern of CD28 in mouse uterus during early pregnancy and pseudopregnancy by real-time quantitative polymerase chain reaction, Western blotting, in situ hybridization, and immunohistochemistry (IHC). We found that injection of the uterine horn with CD28 antisense oligodeoxynucleotides leads to a decreased number of implantation sites. The expression pattern of CD3 protein examined by IHC is similar to that of CD28. These findings suggest that CD28 participates in the process of embryo implantation in mice, which might play its role through delivering the second costimulatory signal. PMID:24336670

  20. Ultrafast Quantum Control and Quantum Processing in the Vibronic States of Molecules and Solids

    NASA Astrophysics Data System (ADS)

    Sussman, Benjamin; Bustard, Philip; England, Duncan; Lausten, Rune

    2014-05-01

    The unusual features of quantum mechanics are enabling the development of technologies not possible with classical physics, including applications in secure communications, quantum processing, and enhanced measurement. Efforts to build these devices utilize nonclassical states in numerous quantum systems, including cavity quantum electrodynamics, trap ions, nuclear spins, etc. as the basis for many prototypes. Here we investigate vibronic states in both molecules and bulk solids as distinct alternatives. We demonstrate a memory for light based on storing photons in the vibrations of hydrogen molecules and the optical phonons of diamond. Both classical and nonclassical photon states are used. These THz-bandwidth memories can be used to store femtosecond pulses for many operational time bins before the states decohere, making them viable for local photonic processing. We investigate decoherence and major sources of competing noise. While sustaining quantum coherence is critical for most quantum processing, rapid dephasing can also be used as a resource in these systems for rapid quantum random number generation, suitable for high-performance cryptography. NSERC

  1. Mechanical Properties of Solution-Processed Small-Molecule Semiconductor Films.

    PubMed

    Rodriquez, Daniel; Savagatrup, Suchol; Valle, Eduardo; Proctor, Christopher M; McDowell, Caitlin; Bazan, Guillermo C; Nguyen, Thuc-Quyen; Lipomi, Darren J

    2016-05-11

    Advantages of semiconducting small molecules-as opposed to semiconducting polymers-include synthetic simplicity, monodispersity, low cost, and ease of purification. One purported disadvantage of small-molecule films is reduced mechanical robustness. This paper measures the tensile modulus and crack-onset strain for pure films of the high-performance solution-processable small-molecule donors 7,7'-[4,4-bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b']dithiophene-2,6-diyl]bis[6-fluoro-4-(5'-hexyl-[2,2'-bithiophen]-5-yl)benzo[c][1,2,5]thiadiazole] (DTS(FBTTh2)2), 2,5-di(2-ethylhexyl)-3,6-bis(5″-n-hexyl-[2,2',5',2″]terthiophen-5-yl)-pyrrolo[3,4-c]pyrrole-1,4-dione (SMDPPEH), and 6,13-bis(triisopropylsilylethynyl)pentacene (TIPS-pentacene), the acceptor 5,5'-(2,1,3-benzothiadiazole-4,7-diyldi-2,1-ethenediyl)bis[2-hexyl-1H-isoindole-1,3(2H)-dione] (HPI-BT), blends of DTS(FBTTh2)2 and SMDPPEH with [6,6]-phenyl C71 butyric acid methyl ester (PC71BM) and with HPI-BT, and bulk heterojunction films processed with the additives 1,8-diiodooctane (DIO) and polystyrene (PS). The most deformable films of solution-processed organic semiconductors are found to exhibit tensile moduli and crack-onset strains comparable to those measured for conjugated polymers. For example, the tensile modulus of as-cast DTS(FBTTh2)2 is 0.68 GPa (i.e., comparable to poly(3-hexylthiophene) (P3HT), the common polymer), while it exhibits no cracks when stretched on an elastomeric substrate to strains of 14%. While this high degree of stretchability is lost upon the addition of PC71BM (4.2 GPa, 1.42%), it can be partially recovered using processing additives. Tensile modulus and crack-onset strain are highly correlated, which is typical of van der Waals solids. Increased surface roughness was correlated to increased modulus and brittleness within films of similar composition. Decreased stiffness for soluble molecular semiconductors can be rationalized by the presence of alkyl side chains, which decrease the

  2. Environmental restoration/waste management-applied technology semiannual report, January--June 1992. Volume 1, No. 1

    SciTech Connect

    Adamson, M.; Kline-Simon, K.

    1992-12-31

    This is the first issue from the Lawrence Livermore National Laboratory of The Environmental Restoration/Waste Management-Applied Technology (ER/WM-AT) Semiannual Report, a continuation of the Advanced Processing Technology (APT) Semiannual Report. The name change reflects the consolidation of the APT Program with the Environmental Restoration and Waste Management Program to form the Environmental Restoration/Waste Management-Applied Technology (ER/WM-AT) Program. The Livermore site mirrors, on a small scale, many of the environmental and waste management problems of the DOE Complex. The six articles in this issue cover incineration- alternative technologies, process development for waste minimization, the proposed Mixed Waste Management Facility, dynamic underground stripping, electrical resistance tomography, and Raman spectroscopy for remote characterization of underground tanks.

  3. Semiannual report to Congress, April 1--September 30, 1990

    SciTech Connect

    Not Available

    1990-01-01

    This issue of the Office of Inspector General's (OIG's) Semiannual Report to the Congress covers the period from April 1, 1990, to September 30, 1990. During that time, the Office issued 130 audit and inspection reports. The Semiannual Report is organized into five major sections. The first section contains brief overviews of the Department of Energy and the Office of Inspector General, as well as OIG views on current legislative matters. The second section describes the significant operational results of OIG audit, inspection, and investigative activity. The third, fourth, and fifth sections contain compilations of OIG statistical data.

  4. Hydrogen sulphide as a signalling molecule regulating physiopathological processes in gastrointestinal motility.

    PubMed

    Jimenez, M; Gil, V; Martinez-Cutillas, M; Mañé, N; Gallego, D

    2017-09-01

    The biology of H2 S is a still developing area of research and several biological functions have been recently attributed to this gaseous molecule in many physiological systems, including the cardiovascular, urogenital, respiratory, digestive and central nervous system (CNS). H2 S exerts anti-inflammatory effects and can be considered an endogenous mediator with potential effects on gastrointestinal motility. During the last few years, we have investigated the role of H2 S as a regulator of gastrointestinal motility using both animal and human tissues. The aim of the present work is to review published data regarding the potential role of H2 S as a signalling molecule regulating physiopathological processes in gastrointestinal motor function. H2 S is endogenously produced by defined enzymic pathways in different cell types of the intestinal wall including neurons and smooth muscle. Inhibition of H2 S biosynthesis increases motility and H2 S donors cause smooth muscle relaxation and inhibition of propulsive motor patterns. Impaired H2 S production has been described in animal models with gastrointestinal motor dysfunction. The mechanism(s) of action underlying these effects may include several ion channels, although no specific receptor has been identified. At this time, even though there is much experimental evidence for H2 S as a modulator of gastrointestinal motility, we still do not have conclusive experimental evidence to definitively propose H2 S as an inhibitory neurotransmitter in the gastrointestinal tract, causing nerve-mediated relaxation. © 2017 The British Pharmacological Society.

  5. Single Molecule Nanospectroscopy Visualizes Proton-Transfer Processes within a Zeolite Crystal

    PubMed Central

    2016-01-01

    Visualizing proton-transfer processes at the nanoscale is essential for understanding the reactivity of zeolite-based catalyst materials. In this work, the Brønsted-acid-catalyzed oligomerization of styrene derivatives was used for the first time as a single molecule probe reaction to study the reactivity of individual zeolite H-ZSM-5 crystals in different zeolite framework, reactant and solvent environments. This was accomplished via the formation of distinct dimeric and trimeric fluorescent carbocations, characterized by their different photostability, as detected by single molecule fluorescence microscopy. The oligomerization kinetics turned out to be very sensitive to the reaction conditions and the presence of the local structural defects in zeolite H-ZSM-5 crystals. The remarkably photostable trimeric carbocations were found to be formed predominantly near defect-rich crystalline regions. This spectroscopic marker offers clear prospects for nanoscale quality control of zeolite-based materials. Interestingly, replacing n-heptane with 1-butanol as a solvent led to a reactivity decrease of several orders and shorter survival times of fluorescent products due to the strong chemisorption of 1-butanol onto the Brønsted acid sites. A similar effect was achieved by changing the electrophilic character of the para-substituent of the styrene moiety. Based on the measured turnover rates we have established a quantitative, single turnover approach to evaluate substituent and solvent effects on the reactivity of individual zeolite H-ZSM-5 crystals. PMID:27709925

  6. Ambipolar Small-Molecule:Polymer Blend Semiconductors for Solution-Processable Organic Field-Effect Transistors.

    PubMed

    Kang, Minji; Hwang, Hansu; Park, Won-Tae; Khim, Dongyoon; Yeo, Jun-Seok; Kim, Yunseul; Kim, Yeon-Ju; Noh, Yong-Young; Kim, Dong-Yu

    2017-01-25

    We report on the fabrication of an organic thin-film semiconductor formed using a blend solution of soluble ambipolar small molecules and an insulating polymer binder that exhibits vertical phase separation and uniform film formation. The semiconductor thin films are produced in a single step from a mixture containing a small molecular semiconductor, namely, quinoidal biselenophene (QBS), and a binder polymer, namely, poly(2-vinylnaphthalene) (PVN). Organic field-effect transistors (OFETs) based on QBS/PVN blend semiconductor are then assembled using top-gate/bottom-contact device configuration, which achieve almost four times higher mobility than the neat QBS semiconductor. Depth profile via secondary ion mass spectrometry and atomic force microscopy images indicate that the QBS domains in the films made from the blend are evenly distributed with a smooth morphology at the bottom of the PVN layer. Bias stress test and variable-temperature measurements on QBS-based OFETs reveal that the QBS/PVN blend semiconductor remarkably reduces the number of trap sites at the gate dielectric/semiconductor interface and the activation energy in the transistor channel. This work provides a one-step solution processing technique, which makes use of soluble ambipolar small molecules to form a thin-film semiconductor for application in high-performance OFETs.

  7. Formation of ultracold polar ground state molecules via an optical process

    NASA Astrophysics Data System (ADS)

    Dulieu, Olivier; Borsalino, Dimitri; Orban, Andrea; Vexiau, Romain; Londono-Florez, Beatriz; Crubellier, Anne; Luc, Eliane; Bouloufa-Maafa, Nadia

    2015-05-01

    Based on spectroscopic studies available in the literature completed by accurate ab initio calculations for potentail energy curves, spin-orbit couplings, and transition dipole moments, we investigate several optical coherent schemes to create ultracold bosonic and fermionic ultracold polar molecules in their absolute rovibrational ground level, starting from a weakly bound level of their electronic ground state manifold. The processes rely on the existence of convenient electronically excited states allowing an efficient stimulated Raman adiabatic transfer (STIRAP) of the level population. Illustrations are given for KRb and KCs. A model for the hyperfine structure of the excited molecular states is also presented. Supported by Agence Nationale de la Recherche (ANR), project COPOMOL (# ANR-13-IS04-0004-01).

  8. Photo-induced charge-transfer processes in fullerene-containing dyad and triad molecules

    NASA Astrophysics Data System (ADS)

    Knorr, S.; Grupp, A.; Mehring, M.; Grube, G.; Effenberger, F.

    1999-09-01

    We report on pulsed electron-spin-resonance (ESR) investigations of novel model systems for photo-induced electron-transfer processes. The schematic structures of the molecules are T5-C60 and A-T5-C60, i.e., the fullerene C60 is used as the acceptor, and quinquethiophene (T5) or anthracene (A) act as a donor. In frozen solutions of both the dyad and triad, we find rather long-lived radical signals (lifetime ≈2 μs) after laser-pulse excitation. The observed signals can be assigned by the g factor and the linewidth to the anion C60- and the cation T5+. We have examined the influence of the solvent polarity (toluene or benzonitrile) and of the excitation wavelength (355 nm or 532 nm) on the efficiency of the charge transfer.

  9. Electronic Measurements of Single-Molecule Processing by DNA Polymerase I (Klenow Fragment)

    PubMed Central

    Olsen, Tivoli J.; Choi, Yongki; Sims, Patrick C.; Gul, O. Tolga; Corso, Brad L.; Dong, Chengjun; Brown, William A.; Collins, Philip G.; Weiss, Gregory A.

    2013-01-01

    Bioconjugating single molecules of the Klenow fragment of DNA polymerase I into electronic nanocircuits allowed electrical recordings of enzymatic function and dynamic variability with the resolution of individual nucleotide incorporation events. Continuous recordings of DNA polymerase processing multiple homopolymeric DNA templates extended over 600 s and through >10,000 bond forming events. An enzymatic processivity of 42 nucleotides for a template of the same length was directly observed. Statistical analysis determined key kinetic parameters for the enzyme’s open and closed conformations. Consistent with these nanocircuit-based observations, the enzyme closed complex forms a phosphodiester bond in a highly efficient process >99.8% of the time with a mean duration of only 0.3 ms for all four dNTPs. The rate-limiting step for catalysis occurs during the enzyme open state, but with a nearly two-fold longer duration for dATP or dTTP incorporation than for dCTP or dGTP into complementary, homopolymeric DNA templates. Taken together, the results provide a wealth of new information complementing prior work on the mechanism and dynamics of DNA polymerase I. PMID:23631761

  10. Electronic measurements of single-molecule processing by DNA polymerase I (Klenow fragment).

    PubMed

    Olsen, Tivoli J; Choi, Yongki; Sims, Patrick C; Gul, O Tolga; Corso, Brad L; Dong, Chengjun; Brown, William A; Collins, Philip G; Weiss, Gregory A

    2013-05-29

    Bioconjugating single molecules of the Klenow fragment of DNA polymerase I into electronic nanocircuits allowed electrical recordings of enzymatic function and dynamic variability with the resolution of individual nucleotide incorporation events. Continuous recordings of DNA polymerase processing multiple homopolymeric DNA templates extended over 600 s and through >10,000 bond-forming events. An enzymatic processivity of 42 nucleotides for a template of the same length was directly observed. Statistical analysis determined key kinetic parameters for the enzyme's open and closed conformations. Consistent with these nanocircuit-based observations, the enzyme's closed complex forms a phosphodiester bond in a highly efficient process >99.8% of the time, with a mean duration of only 0.3 ms for all four dNTPs. The rate-limiting step for catalysis occurs during the enzyme's open state, but with a nearly 2-fold longer duration for dATP or dTTP incorporation than for dCTP or dGTP into complementary, homopolymeric DNA templates. Taken together, the results provide a wealth of new information complementing prior work on the mechanism and dynamics of DNA polymerase I.

  11. Design of small molecule-responsive microRNAs based on structural requirements for Drosha processing

    PubMed Central

    Beisel, Chase L.; Chen, Yvonne Y.; Culler, Stephanie J.; Hoff, Kevin G.; Smolke, Christina D.

    2011-01-01

    MicroRNAs (miRNAs) are prevalent regulatory RNAs that mediate gene silencing and play key roles in diverse cellular processes. While synthetic RNA-based regulatory systems that integrate regulatory and sensing functions have been demonstrated, the lack of detail on miRNA structure–function relationships has limited the development of integrated control systems based on miRNA silencing. Using an elucidated relationship between Drosha processing and the single-stranded nature of the miRNA basal segments, we developed a strategy for designing ligand-responsive miRNAs. We demonstrate that ligand binding to an aptamer integrated into the miRNA basal segments inhibits Drosha processing, resulting in titratable control over gene silencing. The generality of this control strategy was shown for three aptamer–small molecule ligand pairs. The platform can be extended to the design of synthetic miRNAs clusters, cis-acting miRNAs and self-targeting miRNAs that act both in cis and trans, enabling fine-tuning of the regulatory strength and dynamics. The ability of our ligand-responsive miRNA platform to respond to user-defined inputs, undergo regulatory performance tuning and display scalable combinatorial control schemes will help advance applications in biological research and applied medicine. PMID:21149259

  12. Semiannual Report: Apr 1, 2010 - Sept 30, 2010

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-10-005, Nov, 2010. The OIG will do its best to help the Agency address the nation’s critical environmental challenges by ensuring that Agency funds are properly expended to safeguard human health and the environment.

  13. Semiannual Report: Apr 1, 2011 - Sept 30, 2011

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-11-036, Nov, 2011. We have made great progress and I look forward to fulfilling the new Office of Inspector General vision of being the best in public service and oversight for a better environment tomorrow.

  14. Semiannual Report: Oct 1, 2008 - Mar 31, 2009

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-09-003, May, 2009. The next few years will be challenging ones as the OIG works with the EPA to ensure that Recovery Act and other funding is expended efficiently and effectively to safeguard human health and the environment.

  15. 45 CFR 604.600 - Semi-annual compilation.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 45 Public Welfare 3 2011-10-01 2011-10-01 false Semi-annual compilation. 604.600 Section 604.600 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL SCIENCE FOUNDATION NEW..., shall be available for public inspection 30 days after receipt of the report by the Secretary and...

  16. 45 CFR 604.600 - Semi-annual compilation.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 45 Public Welfare 3 2014-10-01 2014-10-01 false Semi-annual compilation. 604.600 Section 604.600 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL SCIENCE FOUNDATION NEW..., shall be available for public inspection 30 days after receipt of the report by the Secretary and...

  17. 45 CFR 1168.600 - Semi-annual compilation.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 45 Public Welfare 3 2011-10-01 2011-10-01 false Semi-annual compilation. 1168.600 Section 1168.600 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE HUMANITIES NEW RESTRICTIONS ON LOBBYING Agency Reports § 1168.600 Semi...

  18. 45 CFR 1168.600 - Semi-annual compilation.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 45 Public Welfare 3 2014-10-01 2014-10-01 false Semi-annual compilation. 1168.600 Section 1168.600 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE HUMANITIES NEW RESTRICTIONS ON LOBBYING Agency Reports § 1168.600 Semi...

  19. 45 CFR 1168.600 - Semi-annual compilation.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 45 Public Welfare 3 2012-10-01 2012-10-01 false Semi-annual compilation. 1168.600 Section 1168.600 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE HUMANITIES NEW RESTRICTIONS ON LOBBYING Agency Reports § 1168.600 Semi...

  20. 45 CFR 1168.600 - Semi-annual compilation.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 45 Public Welfare 3 2013-10-01 2013-10-01 false Semi-annual compilation. 1168.600 Section 1168.600 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE HUMANITIES NEW RESTRICTIONS ON LOBBYING Agency Reports § 1168.600 Semi...

  1. 45 CFR 1168.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 45 Public Welfare 3 2010-10-01 2010-10-01 false Semi-annual compilation. 1168.600 Section 1168.600 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE HUMANITIES NEW RESTRICTIONS ON LOBBYING Agency Reports § 1168.600 Semi...

  2. 18 CFR 1315.600 - Semi-annual compilation.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 18 Conservation of Power and Water Resources 2 2013-04-01 2012-04-01 true Semi-annual compilation. 1315.600 Section 1315.600 Conservation of Power and Water Resources TENNESSEE VALLEY AUTHORITY NEW... Clerk. (c) Information that involves intelligence matters shall be reported only to the Select Committee...

  3. 18 CFR 1315.600 - Semi-annual compilation.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 18 Conservation of Power and Water Resources 2 2012-04-01 2012-04-01 false Semi-annual compilation. 1315.600 Section 1315.600 Conservation of Power and Water Resources TENNESSEE VALLEY AUTHORITY NEW... Clerk. (c) Information that involves intelligence matters shall be reported only to the Select Committee...

  4. 18 CFR 1315.600 - Semi-annual compilation.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 18 Conservation of Power and Water Resources 2 2014-04-01 2014-04-01 false Semi-annual compilation. 1315.600 Section 1315.600 Conservation of Power and Water Resources TENNESSEE VALLEY AUTHORITY NEW... Clerk. (c) Information that involves intelligence matters shall be reported only to the Select Committee...

  5. Semiannual Report to Congress, October 1, 2002-March 31, 2003.

    ERIC Educational Resources Information Center

    Office of Inspector General (ED), Washington, DC.

    This semiannual report to Congress by the Office of Inspector General (OIG), U.S. Department of Education, covers the actions of the OIG from October 1, 2002, through March 31, 2003. The report discusses four goals of the President's Management Agenda: (1) improved financial performance: includes information on financial statement audits,…

  6. Semiannual Report: Apr 1, 2005 - Sept 30, 2005

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-05-003, Dec, 2005. We look forward to the challenges ahead as EPA and the Nation continue the effort to rebuild the Gulf States region and to safeguard our environment for us and for the generations that follow.

  7. Semi-annual conference review January-June 2000

    Treesearch

    John K. Borchardt; Marguerite S. Sykes; Mahendra R. Doshi

    2000-01-01

    Conferences covered in this semiannual review include the TAPPI Recycling Symposium and the 9th PTS/CTP Deinking Symposium. The intent of this feature is to present a synopsis of the significant research results and industry ideas related to paper recycling reported at these conferences. Due to space constraints, we are not able to cover all of the presented papers in...

  8. 22 CFR 227.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... Senate and the Clerk of the House of Representatives a report containing a compilation of the information... 30 days after receipt of the report by the Secretary and the Clerk. (c) Information that involves... information shall not be available for public inspection. (e) The first semi-annual compilation shall...

  9. 38 CFR 45.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... (CONTINUED) NEW RESTRICTIONS ON LOBBYING Agency Reports § 45.600 Semi-annual compilation. (a) The head of... Representatives a report containing a compilation of the information contained in the disclosure reports received... report by the Secretary and the Clerk. (c) Information that involves intelligence matters shall...

  10. 40 CFR 34.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... NEW RESTRICTIONS ON LOBBYING Agency Reports § 34.600 Semi-annual compilation. (a) The head of each... report containing a compilation of the information contained in the disclosure reports received during... the Secretary and the Clerk. (c) Information that involves intelligence matters shall be reported...

  11. 12 CFR 411.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... Reports § 411.600 Semi-annual compilation. (a) The head of each agency shall collect and compile the... information contained in the disclosure reports received during the six-month period ending on March 31 or... public inspection 30 days after receipt of the report by the Secretary and the Clerk. (c)...

  12. 22 CFR 138.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... Senate and the Clerk of the House of Representatives a report containing a compilation of the information... 30 days after receipt of the report by the Secretary and the Clerk. (c) Information that involves... information shall not be available for public inspection. (e) The first semi-annual compilation shall...

  13. 32 CFR 28.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... REGULATIONS NEW RESTRICTIONS ON LOBBYING Agency Reports § 28.600 Semi-annual compilation. (a) The head of each... report containing a compilation of the information contained in the disclosure reports received during... the Secretary and the Clerk. (c) Information that involves intelligence matters shall be reported...

  14. 45 CFR 93.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... LOBBYING Agency Reports § 93.600 Semi-annual compilation. (a) The head of each agency shall collect and... compilation of the information contained in the disclosure reports received during the six-month period ending... Clerk. (c) Information that involves intelligence matters shall be reported only to the Select...

  15. 15 CFR 28.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... Agency Reports § 28.600 Semi-annual compilation. (a) The head of each agency shall collect and compile... the information contained in the disclosure reports received during the six-month period ending on.... (c) Information that involves intelligence matters shall be reported only to the Select Committee...

  16. 48 CFR 1422.406-13 - Semiannual enforcement reports.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 48 Federal Acquisition Regulations System 5 2011-10-01 2011-10-01 false Semiannual enforcement reports. 1422.406-13 Section 1422.406-13 Federal Acquisition Regulations System DEPARTMENT OF THE INTERIOR SOCIOECONOMIC PROGRAMS APPLICATION OF LABOR LAWS TO GOVERNMENT ACQUISITIONS Labor Standards for Contracts...

  17. Semiannual Report: Apr 1, 1998 - Sept 30, 1998

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-98-004, Nov, 1998. We look forward to working with the Administrator, Agency managers, Congress, and EPA's various stakeholders to help ensure that EPA delivers the maximum in environmental and health benefits to the public.

  18. 13 CFR 146.600 - Semi-annual compilation.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 13 Business Credit and Assistance 1 2011-01-01 2011-01-01 false Semi-annual compilation. 146.600 Section 146.600 Business Credit and Assistance SMALL BUSINESS ADMINISTRATION NEW RESTRICTIONS ON LOBBYING.... (c) Information that involves intelligence matters shall be reported only to the Select Committee on...

  19. Semiannual Report: Oct 1, 2000 - Mar 31, 2001

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-K-01-001, May, 2001. Our new structure provides a solid foundation for the OIG's efforts to continuously improve its performance, and I am certain that it will greatly enhance our ability to be agents of positive change.

  20. 13 CFR 146.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 13 Business Credit and Assistance 1 2010-01-01 2010-01-01 false Semi-annual compilation. 146.600 Section 146.600 Business Credit and Assistance SMALL BUSINESS ADMINISTRATION NEW RESTRICTIONS ON LOBBYING.... (c) Information that involves intelligence matters shall be reported only to the Select Committee on...

  1. 48 CFR 1422.406-13 - Semiannual enforcement reports.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 48 Federal Acquisition Regulations System 5 2014-10-01 2014-10-01 false Semiannual enforcement reports. 1422.406-13 Section 1422.406-13 Federal Acquisition Regulations System DEPARTMENT OF THE INTERIOR SOCIOECONOMIC PROGRAMS APPLICATION OF LABOR LAWS TO GOVERNMENT ACQUISITIONS Labor Standards for Contracts...

  2. 22 CFR 712.600 - Semi-annual compilation.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 22 Foreign Relations 2 2011-04-01 2009-04-01 true Semi-annual compilation. 712.600 Section 712.600 Foreign Relations OVERSEAS PRIVATE INVESTMENT CORPORATION ADMINISTRATIVE PROVISIONS NEW RESTRICTIONS ON... the Committee on Foreign Relations of the Senate and the Committee on Foreign Affairs of the House...

  3. 22 CFR 712.600 - Semi-annual compilation.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 22 Foreign Relations 2 2010-04-01 2010-04-01 true Semi-annual compilation. 712.600 Section 712.600 Foreign Relations OVERSEAS PRIVATE INVESTMENT CORPORATION ADMINISTRATIVE PROVISIONS NEW RESTRICTIONS ON... the Committee on Foreign Relations of the Senate and the Committee on Foreign Affairs of the House...

  4. Semiannual Report to Congress, October 1, 2009 - March 31, 2010

    DTIC Science & Technology

    2010-03-31

    Included among these are asset accountability, the Guam realignment, health care, Recovery Act projects, product substitution, and acquisitions and...Semiannual Report to the Congress October 1, 2009 to March 31, 2010 Inspector General Act of 1978, as amended Title 5, U.S. Code, Appendix 2 Purpose...General Act of 1978, as

  5. Semiannual Report: Oct 1, 1997 - Mar 31, 1998

    EPA Pesticide Factsheets

    Semiannual Report #EPA-350-R-98-001, May, 1998. As evidenced by the success of our efforts in these and other areas, the Office of Inspector General remains committed to assisting the Agency in the accomplishment of its environmental goals.

  6. Kinetics of the processes, plasma parameters, and output characteristics of a UV emitter operating on XeI molecules and iodine molecules and atoms

    SciTech Connect

    Shuaibov, A. K.; Grabovaya, I. A.; Minya, A. I.; Homoki, Z. T.; Kalyuzhnaya, A. G.; Shchedrin, A. I.

    2011-03-15

    A kinetic model of the processes occurring in the plasma of a high-power low-pressure gas-discharge lamp is presented, and the output characteristics of the lamp are described. The lamp is excited by a longitudinal glow discharge and emits the I{sub 2}(D Prime -A Prime ) 342-nm and XeI(B-X) 253-nm bands and the 206.2-nm spectral line of atomic iodine. When the emitter operates in a sealed-off mode on the p(He): p(Xe): p(I{sub 2}) = 400: 120: (100-200) Pa mixture, the fractions of the UV radiation power of iodine atoms, exciplex molecules of xenon iodide, and iodine molecules comprise 55, 10, and 35%, respectively. At the optimal partial pressure, the maximum total radiation power of the lamp reaches 37 W, the energy efficiency being about 15%.

  7. Solution-Processable Organic Molecule for High-Performance Organic Solar Cells with Low Acceptor Content.

    PubMed

    Wang, Kun; Guo, Bing; Xu, Zhuo; Guo, Xia; Zhang, Maojie; Li, Yongfang

    2015-11-11

    A new planar D2-A-D1-A-D2 structured organic molecule with bithienyl benzodithiophene (BDT) as central donor unit D1 and fluorine-substituted benzothiadiazole (BTF) as acceptor unit and alkyl-dithiophene as end group and donor unit D2, BDT-BTF, was designed and synthesized for the application as donor material in organic solar cells (OSCs). BDT-BTF shows a broad absorption in visible region, suitable highest occupied molecular orbital energy level of -5.20 eV, and high hole mobility of 1.07 × 10(-2) cm(2)/(V s), benefitted from its high coplanarity and strong crystallinity. The OSCs based on BDT-BTF as donor (D) and PC71BM as acceptor (A) at a D/A weight ratio of 3:1 without any extra treatment exhibit high photovoltaic performance with Voc of 0.85 V, Jsc of 10.48 mA/cm(2), FF of 0.66, and PCE of 5.88%. The morphological study by transmission electron microscopy reveals that the blend of BDT-BTF and PC71BM (3:1, w/w) possesses an appropriate interpenetrating D/A network for the exciton separation and charge carrier transport, which agrees well with the good device performance. The optimized D/A weight ratio of 3:1 is the lowest acceptor content in the active layer reported so far for the high-performance OSCs, and the organic molecules with the molecular structure like BDT-BTF could be promising high-performance donor materials in solution-processable OSCs.

  8. Semi-annual Sq-variation in solar activity cycle

    NASA Astrophysics Data System (ADS)

    Pogrebnoy, V.; Malosiev, T.

    The peculiarities of semi-annual variation in solar activity cycle have been studied. The data from observatories having long observational series and located in different latitude zones were used. The following observatories were selected: Huancayo (magnetic equator), from 1922 to 1959; Apia (low latitudes), from 1912 to 1961; Moscow (middle latitudes), from 1947 to 1965. Based on the hourly values of H-components, the average monthly diurnal amplitudes (a difference between midday and midnight values), according to five international quiet days, were computed. Obtained results were compared with R (relative sunspot numbers) in the ranges of 0-30R, 40-100R, and 140-190R. It was shown, that the amplitude of semi-annual variation increases with R, from minimum to maximum values, on average by 45%. At equatorial Huancayo observatory, the semi-annual Sq(H)-variation appears especially clearly: its maximums take place at periods of equinoxes (March-April, September-October), and minimums -- at periods of solstices (June-July, December-January). At low (Apia observatory) and middle (Moscow observatory) latitudes, the character of semi-annual variation is somewhat different: it appears during the periods of equinoxes, but considerably less than at equator. Besides, with the growth of R, semi-annual variation appears against a background of annual variation, in the form of second peaks (maximum in June). At observatories located in low and middle latitudes, second peaks become more appreciable with an increase of R (March-April and September-October). During the periods of low solar activity, they are insignificant. This work has been carried out with the support from International Scientific and Technology Center (Project #KR-214).

  9. Electron-molecule chemistry and charging processes on organic ices and Titan's icy aerosol surrogates

    NASA Astrophysics Data System (ADS)

    Pirim, C.; Gann, R. D.; McLain, J. L.; Orlando, T. M.

    2015-09-01

    Electron-induced polymerization processes and charging events that can occur within Titan's atmosphere or on its surface were simulated using electron irradiation and dissociative electron attachment (DEA) studies of nitrogen-containing organic condensates. The DEA studies probe the desorption of H- from hydrogen cyanide (HCN), acetonitrile (CH3CN), and aminoacetonitrile (NH2CH2CN) ices, as well as from synthesized tholin materials condensed or deposited onto a graphite substrate maintained at low temperature (90-130 K). The peak cross sections for H- desorption during low-energy (3-15 eV) electron irradiation were measured and range from 3 × 10-21 to 2 × 10-18 cm2. Chemical and structural transformations of HCN ice upon 2 keV electron irradiation were investigated using X-ray photoelectron and Fourier-transform infrared spectroscopy techniques. The electron-beam processed materials displayed optical properties very similar to tholins produced by conventional discharge methods. Electron and negative ion trapping lead to 1011 charges cm-2 on a flat surface which, assuming a radius of 0.05 μm for Titan aerosols, is ∼628 charges/radius (in μm). The facile charge trapping indicates that electron interactions with nitriles and complex tholin-like molecules could affect the conductivity of Titan's atmosphere due to the formation of large negative ion complexes. These negatively charged complexes can also precipitate onto Titan's surface and possibly contribute to surface reactions and the formation of dunes.

  10. Single-Molecule Imaging Reveals that Rad4 Employs a Dynamic DNA Damage Recognition Process.

    PubMed

    Kong, Muwen; Liu, Lili; Chen, Xuejing; Driscoll, Katherine I; Mao, Peng; Böhm, Stefanie; Kad, Neil M; Watkins, Simon C; Bernstein, Kara A; Wyrick, John J; Min, Jung-Hyun; Van Houten, Bennett

    2016-10-20

    Nucleotide excision repair (NER) is an evolutionarily conserved mechanism that processes helix-destabilizing and/or -distorting DNA lesions, such as UV-induced photoproducts. Here, we investigate the dynamic protein-DNA interactions during the damage recognition step using single-molecule fluorescence microscopy. Quantum dot-labeled Rad4-Rad23 (yeast XPC-RAD23B ortholog) forms non-motile complexes or conducts a one-dimensional search via either random diffusion or constrained motion. Atomic force microcopy analysis of Rad4 with the β-hairpin domain 3 (BHD3) deleted reveals that this motif is non-essential for damage-specific binding and DNA bending. Furthermore, we find that deletion of seven residues in the tip of β-hairpin in BHD3 increases Rad4-Rad23 constrained motion at the expense of stable binding at sites of DNA lesions, without diminishing cellular UV resistance or photoproduct repair in vivo. These results suggest a distinct intermediate in the damage recognition process during NER, allowing dynamic DNA damage detection at a distance. Copyright © 2016 Elsevier Inc. All rights reserved.

  11. Angle-resolved 2D imaging of electron emission processes in atoms and molecules

    SciTech Connect

    Kukk, E.; Wills, A.A.; Langer, B.; Bozek, J.D.; Berrah, N.

    2004-09-02

    A variety of electron emission processes have been studied in detail for both atomic and molecular systems, using a highly efficient experimental system comprising two time-of-flight (TOF) rotatable electron energy analyzers and a 3rd generation synchrotron light source. Two examples are used here to illustrate the obtained results. Firstly, electron emissions in the HCL molecule have been mapped over a 14 eV wide photon energy range over the Cl 2p ionization threshold. Particular attention is paid to the dissociative core-excited states, for which the Auger electron emission shows photon energy dependent features. Also, the evolution of resonant Auger to the normal Auger decay distorted by post-collision interaction has been observed and the resonating behavior of the valence photoelectron lines studied. Secondly, an atomic system, neon, in which excitation of doubly excited states and their subsequent decay to various accessible ionic states has been studied. Since these processes only occurs via inter-electron correlations, the many body dynamics of an atom can be probed, revealing relativistic effects, surprising in such a light atom. Angular distribution of the decay of the resonances to the parity unfavored continuum exhibits significant deviation from the LS coupling predictions.

  12. Elementary processes in the scattering of NO molecules from a diamond surface

    SciTech Connect

    Matsuo, Y. ); Vach, H.; Chatelet, M. ); Haeger, J.; Roth, C. ); Flytzanis, C. ); Walther, H. )

    1990-09-15

    We report on the scattering of supersonic NO molecules from a diamond (111) surface. Using state selective laser techniques combined with mass selective quadrupole measurements, we observe two novel features in the molecule--surface interaction: first, a scattering behavior which is dependent on the direction of the incoming molecules; and second, surface residence times that are unusually long, but temperature independent. The former observation can be traced back to the topography of the unreconstructed diamond (111) surface, the latter one can be understood when a temporary function of a metastable surface--molecule complex is assumed.

  13. Roll-to-Roll Solution-Processible Small-Molecule OLEDs

    SciTech Connect

    Liu, Jie Jerry

    2012-07-31

    The objective of this program is to develop key knowledge and make critical connections between technologies needed to enable low-cost manufacturing of OLED lighting products. In particular, the program was intended to demonstrate the feasibility of making high performance Small-Molecule OLEDs (SM-OLED) using a roll-to-roll (R2R) wet-coating technique by addressing the following technical risks (1) Whether the wet-coating technique can provide high performance OLEDs, (2) Whether SM-OLED can be made in a R2R manner, (3) What are the requirements for coating equipment, and (4) Whether R2R OLEDs can have the same performance as the lab controls. The program has been managed and executed according to the Program Management Plan (PMP) that was first developed at the beginning of the program and further revised accordingly as the program progressed. Significant progress and risk reductions have been accomplished by the end of the program. Specific achievements include: (1) Demonstrated that wet-coating can provide OLEDs with high LPW and long lifetime; (2) Demonstrated R2R OLEDs can be as efficient as batch controls (Figure 1) (3) Developed & validated basic designs for key equipment necessary for R2R SM-OLEDs; (4) Developed know-hows & specifications on materials & ink formulations critical to wetcoating; (5) Developed key R2R processes for each OLED layer (6) Identified key materials and components such as flexible barrier substrates necessary for R2R OLEDs.

  14. Efficient solution-processed small molecule: Cadmium selenide quantum dot bulk heterojunction solar cells

    SciTech Connect

    Gupta, Vinay; Upreti, Tanvi; Chand, Suresh

    2013-12-16

    We report bulk heterojunction solar cells based on blends of solution-processed small molecule [7,7′-(4,4-bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b′]dithiophene-2,6-diyl) bis(6-fluoro-4-(5′-hexyl-[2,2′-bithiophen]-5yl)benzo[c] [1,2,5] thiadiazole)] p-DTS(FBTTh{sub 2}){sub 2}: Cadmium Selenide (CdSe) (70:30, 60:40, 50:50, and 40:60) in the device configuration: Indium Tin Oxide /poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS)/p-DTS(FBTTh{sub 2}){sub 2}: CdSe/Ca/Al. The optimized ratio of p-DTS(FBTTh{sub 2}){sub 2}:CdSe::60:40 leads to a short circuit current density (J{sub sc}) = 5.45 mA/cm{sup 2}, open circuit voltage (V{sub oc}) = 0.727 V, and fill factor (FF) = 51%, and a power conversion efficiency = 2.02% at 100 mW/cm{sup 2} under AM1.5G illumination. The J{sub sc} and FF are sensitive to the ratio of p-DTS(FBTTh{sub 2}){sub 2}:CdSe, which is a crucial factor for the device performance.

  15. Simplified stochastic models with time delay for studying the degradation process of mRNA molecules.

    PubMed

    Tian, Tianhai

    2014-01-01

    Message RNA (mRNA) is the template for protein synthesis. It carries information from DNA in the nucleus to the ribosome sites of protein synthesis in the cell. The turnover process of mRNA is a chemical event with multiple small step reactions and the degradation of mRNA molecules is an important step in gene expression. A number of mathematical models have been proposed to study the dynamics of mRNA turnover, ranging from a one-step first order reaction model to the linear multi-component models. Although the linear multi-component models provide detailed dynamics of mRNA degradation, the simple first-order reaction model has been widely used in mathematical modelling of genetic regulatory networks. To illustrate the difference between these models, we first considered a stochastic model based on the multi-component model. Then a simpler stochastic model was proposed to approximate the linear multi-component model. We also discussed the delayed one-step reaction models with different types of time delay, including the constant delay, exponentially distributed delay and Erlang distributed delay. The comparison study suggested that the one-step reaction models failed to realise the dynamics of mRNA turnover accurately. Therefore, more sophisticated one-step reaction models are needed to study the dynamics of mRNA degradation.

  16. Identification of small molecule inhibitors of the Lin28-mediated blockage of pre-let-7g processing.

    PubMed

    Lightfoot, Helen L; Miska, Eric A; Balasubramanian, Shankar

    2016-11-02

    The protein Lin28 and microRNA let-7 play critical roles in mammalian development and human disease. Lin28 inhibits let-7 biogenesis through direct interaction with let-7 precursors (pre-let-7). Accumulating evidence in vitro and in vivo suggests this interaction plays a dominant role in embryonic stem cell self-renewal and tumorigenesis. Thus the Lin28-let-7 interaction might be an attractive drug target, if not for the well-known difficulties in targeting protein-RNA interactions with drugs. The identification and development of suitable probe molecules to further elucidate therapeutic potential, as well as mechanistic details of this pathway will be valuable. We report the development and application of a biophysical high-throughput screening assay for the identification of small molecule inhibitors of the Lin28-pre-let-7 interaction. A library of pharmacologically active small molecules was screened and several small molecule inhibitors were identified and biochemically validated. Of these four validated inhibitors, two compounds successfully restored processing of pre-let-7g in the presence of Lin28, validating the concept. Thus, we have identified examples of small molecule inhibitors of the interaction between Lin28 and pre-let-7. This study provides a proof of concept for small molecule inhibitors that antagonise the effects of Lin28 and enhance processing of let-7 miRNA.

  17. Structure-Processing Relationships in Solution Processable Polymer Thin Film Transistors and Small Molecule Bulk Heterojunction Solar Cells

    NASA Astrophysics Data System (ADS)

    Perez, Louis A.

    A regio-regular (RR) conjugated copolymer based on cyclopenta[2,1-b:3,4- b]dithiophene (CDT) and pyridal[2,1,3]thiadiazole (PT) structural units was prepared by using polymerization reactions involving reactants specifically designed to avoid random orientation of the asymmetric PT heterocycle. Compared to its regio-irregular (RI) counterpart, the RR polymer exhibits a two orders of magnitude increase in hole mobility from 0.005 to 0.6 cm2V -1s-1. To probe the reason for this difference in mobility, we examined the crystalline structure and its orientation in thin films of both copolymers as a function of depth via grazing incidence wide angle X-ray scattering (GIWAXS). In the RI film, the pi-pi stacking direction of the crystallites is mainly perpendicular to the substrate normal (edge-on orientation) while in the RR film the crystallites adopt a mixed pi-pi stacking orientation in the center of the film as well as near the interface between the polymer and the dielectric layer. These results demonstrate that control of backbone regularity is another important design criterion to consider in the synthesis and optimization of new conjugated copolymers with asymmetric structural units. Solution processed organic photovoltaic devices (OPVs) have emerged as a promising sustainable energy technology due to their ease of fabrication, potential to enable low-cost manufacturing, and ability to be incorporated onto light-weight flexible substrates. To date, the most efficacious OPV device architecture, the bulk heterojunction (BHJ), consists of a blend of a light-harvesting conjugated organic electron donating molecule and a strong electron-accepting compound (usually a soluble fullerene derivative e.g. [6,6]-phenyl C71 butyric acid methyl ester (PC71BM). BHJ layer morphology, which has been shown to be highly dependent on processing, has a significant effect on OPV performance. It is postulated that optimal BHJ morphologies consist of discrete bicontinuous nanoscale

  18. Isotope separation and advanced manufacturing technology. Volume 2, No. 2, Semiannual report, April--September 1993

    SciTech Connect

    Kan, Tehmanu; Carpenter, J.

    1993-12-31

    This is the second issue of a semiannual report for the Isotope Separation and Advanced Manufacturing (ISAM) Technology Program at Lawrence Livermore National Laboratory. Primary objectives of the ISAM Program include: the Uranium Atomic Vapor Laser Isotope Separation (U-AVLIS) process, and advanced manufacturing technologies which include industrial laser materials processing and new manufacturing technologies for uranium, plutonium, and other strategically important materials in support of DOE and other national applications. Topics included in this issue are: production plant product system conceptual design, development and operation of a solid-state switch for thyratron replacement, high-performance optical components for high average power laser systems, use of diode laser absorption spectroscopy for control of uranium vaporization rates, a two-dimensional time dependent hydrodynamical ion extraction model, and design of a formaldehyde photodissociation process for carbon and oxygen isotope separation.

  19. Ultrahigh-efficiency solution-processed simplified small-molecule organic light-emitting diodes using universal host materials

    PubMed Central

    Han, Tae-Hee; Choi, Mi-Ri; Jeon, Chan-Woo; Kim, Yun-Hi; Kwon, Soon-Ki; Lee, Tae-Woo

    2016-01-01

    Although solution processing of small-molecule organic light-emitting diodes (OLEDs) has been considered as a promising alternative to standard vacuum deposition requiring high material and processing cost, the devices have suffered from low luminous efficiency and difficulty of multilayer solution processing. Therefore, high efficiency should be achieved in simple-structured small-molecule OLEDs fabricated using a solution process. We report very efficient solution-processed simple-structured small-molecule OLEDs that use novel universal electron-transporting host materials based on tetraphenylsilane with pyridine moieties. These materials have wide band gaps, high triplet energy levels, and good solution processabilities; they provide balanced charge transport in a mixed-host emitting layer. Orange-red (~97.5 cd/A, ~35.5% photons per electron), green (~101.5 cd/A, ~29.0% photons per electron), and white (~74.2 cd/A, ~28.5% photons per electron) phosphorescent OLEDs exhibited the highest recorded electroluminescent efficiencies of solution-processed OLEDs reported to date. We also demonstrate a solution-processed flexible solid-state lighting device as a potential application of our devices. PMID:27819053

  20. High-Performance Small Molecule/Polymer Ternary Organic Solar Cells Based on a Layer-By-Layer Process.

    PubMed

    Chen, Weichao; Du, Zhengkun; Xiao, Manjun; Zhang, Jidong; Yang, Chunpeng; Han, Liangliang; Bao, Xichang; Yang, Renqiang

    2015-10-21

    The layer-by-layer process method, which had been used to fabricate a bilayer or bulk heterojunction organic solar cell, was developed to fabricate highly efficient ternary blend solar cells in which small molecules and polymers act as two donors. The active layer could be formed by incorporating the small molecules into the polymer based active layer via a layer-by-layer method: the small molecules were first coated on the surface of poly(3,4-ethylenedioxy-thiophene):poly(styrenesulfonate) ( PSS), and then the mixed solution of polymer and fullerene derivative was spin-coated on top of a small molecule layer. In this method, the small molecules in crystalline state were effectively mixed in the active layer. Without further optimization of the morphology of the ternary blend, a high power conversion efficiency (PCE) of 8.76% was obtained with large short-circuit current density (Jsc) (17.24 mA cm(-2)) and fill factor (FF) (0.696). The high PCE resulted from not only enhanced light harvesting but also more balanced charge transport by incorporating small molecules.

  1. Omega-3 fatty acids and inflammatory processes: from molecules to man.

    PubMed

    Calder, Philip C

    2017-09-12

    Inappropriate, excessive or uncontrolled inflammation contributes to a range of human diseases. Inflammation involves a multitude of cell types, chemical mediators and interactions. The present article will describe nutritional and metabolic aspects of omega-6 (n-6) and omega-3 (n-3) fatty acids and explain the roles of bioactive members of those fatty acid families in inflammatory processes. Eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) are n-3 fatty acids found in oily fish and fish oil supplements. These fatty acids are capable of partly inhibiting many aspects of inflammation including leucocyte chemotaxis, adhesion molecule expression and leucocyte-endothelial adhesive interactions, production of eicosanoids like prostaglandins and leukotrienes from the n-6 fatty acid arachidonic acid and production of pro-inflammatory cytokines. In addition, EPA gives rise to eicosanoids that often have lower biological potency than those produced from arachidonic acid, and EPA and DHA give rise to anti-inflammatory and inflammation resolving mediators called resolvins, protectins and maresins. Mechanisms underlying the anti-inflammatory actions of EPA and DHA include altered cell membrane phospholipid fatty acid composition, disruption of lipid rafts, inhibition of activation of the pro-inflammatory transcription factor nuclear factor κB so reducing expression of inflammatory genes and activation of the anti-inflammatory transcription factor peroxisome proliferator-activated receptor γ. Animal experiments demonstrate benefit from EPA and DHA in a range of models of inflammatory conditions. Human trials demonstrate benefit of oral n-3 fatty acids in rheumatoid arthritis and in stabilizing advanced atherosclerotic plaques. Intravenous n-3 fatty acids may have benefits in critically ill patients through reduced inflammation. The anti-inflammatory and inflammation resolving actions of EPA, DHA and their derivatives are of clinical relevance. © 2017 The Author

  2. Quantum Chemistry for Solvated Molecules on Graphical Processing Units Using Polarizable Continuum Models.

    PubMed

    Liu, Fang; Luehr, Nathan; Kulik, Heather J; Martínez, Todd J

    2015-07-14

    The conductor-like polarization model (C-PCM) with switching/Gaussian smooth discretization is a widely used implicit solvation model in chemical simulations. However, its application in quantum mechanical calculations of large-scale biomolecular systems can be limited by computational expense of both the gas phase electronic structure and the solvation interaction. We have previously used graphical processing units (GPUs) to accelerate the first of these steps. Here, we extend the use of GPUs to accelerate electronic structure calculations including C-PCM solvation. Implementation on the GPU leads to significant acceleration of the generation of the required integrals for C-PCM. We further propose two strategies to improve the solution of the required linear equations: a dynamic convergence threshold and a randomized block-Jacobi preconditioner. These strategies are not specific to GPUs and are expected to be beneficial for both CPU and GPU implementations. We benchmark the performance of the new implementation using over 20 small proteins in solvent environment. Using a single GPU, our method evaluates the C-PCM related integrals and their derivatives more than 10× faster than that with a conventional CPU-based implementation. Our improvements to the linear solver provide a further 3× acceleration. The overall calculations including C-PCM solvation require, typically, 20-40% more effort than that for their gas phase counterparts for a moderate basis set and molecule surface discretization level. The relative cost of the C-PCM solvation correction decreases as the basis sets and/or cavity radii increase. Therefore, description of solvation with this model should be routine. We also discuss applications to the study of the conformational landscape of an amyloid fibril.

  3. Investigation of the atomic emission spectroscopy of F atoms and CF2 molecules in CF4 plasma processing

    NASA Astrophysics Data System (ADS)

    Jin, Huiliang; Li, Jie; Tang, Caixue; Deng, Wenhui; Chen, Xianhua

    2016-10-01

    The surface chemistry reaction involved in the processing of Atmospheric Pressure Plasma Jet (APPJ) produced from CF4 precursor has been explored. The atomic emission spectroscopy of F atoms and CF2 molecules was investigated as they contribute to substrate etching and FC film formation during APPJ processing. Optical emission spectroscopy (OES) spectra were acquired for CF4 plasma, relative concentrations of excited state species of F atoms and CF2 molecules were also dependent upon plasma parameters. The densities of F atoms increased dramatically with increasing applied RF power, whereas CF2 molecules decreased monotonically over the same power range, the subsequent electron impacted decomposition of plasma species after CF4 precursor fragmentation. The spectrum of the F atoms and CF2 molecules fallowed the same tendency with the increasing concentration of gas CF4, reaching the maximum at the 20sccm and 15sccm respectively, and then the emission intensity of reactive atoms decreased with more CF4 molecules participating. Addition certain amount O2 into CF4 plasma resulted in promoting CF4 dissociation, O2 can easily react with the dissociation product of CF2 molecules, which inhibit the compound of the F atoms, so with the increasing concentration of O2, the concentration of the CF2 molecules decreased and the emission intensities of F atoms showed the maximum at the O2/CF4 ratio of 20%. These results have led to the development of a scheme that illustrates the mechanisms of surface chemistry reaction and the affection of plasma parameters in CF4 plasma systems with respect to F and CF2 gas-phase species.

  4. Treatment of coal-conversion wastewater with the powdered activated carbon-contact stabilization activated-sludge process. First semiannual technical progress report, August 1, 1980-January 31, 1981

    SciTech Connect

    Suidan, M.T.; Pirbazari, M.; Gee, C.S.; Deady, M.A.

    1981-01-01

    The treatment of coal conversion wastewaters has traditionally been accomplished through the use of the activated sludge process and its various modifications. General observations have been that phenol was degraded efficiently; however, very poor removal efficiencies of thiocyanate, cyanide, and ammonia were obtained. The addition of powdered activated carbon (PAC) to the activated sludge process has been reported to result in a number of distinct advantages. Generally, however, improving the effluent water quality beyond the capabilities of conventional biological treatment and enhancing the treatability of wastewaters that inhibit or toxify biological treatment systems are the primary objectives of utilizing PAC in secondary biological treatment. The focus of the present research project is to assess the effectiveness of the powdered activated carbon-contact stabilization activated sludge process in the treatment of a coking wastewater. The purpose of the contact tank in such a process will be to provide sufficient time for the adsorbable constituents of the coking wastewater to adsorb onto the PAC. The liquor leaving the contact tank is then clarified with the concentratrated underflow receiving treatment in the stabilization tank. After stabilization the sludge is returned to the contact tank. The clarifier supernatant is then nitrified in an activated sludge-type nitrification process and the nitrified effluent is subsequently denitrified in an anoxic filter.

  5. A single molecule magnet to single molecule magnet transformation via a solvothermal process: Fe4Dy2 → Fe6Dy3.

    PubMed

    Chen, Sihuai; Mereacre, Valeriu; Anson, Christopher E; Powell, Annie K

    2016-01-07

    Two series of heterometallic Fe(III)-Ln(III) compounds, [FeLn(μ3-OH)2(mdea)4(m-NO2C6H4COO)8]·3MeCN where Ln = Y (1) and Dy (2) and [FeLn(μ4-O)3(μ3-O)(mdea)5(m-NO2C6H4COO)9]·3MeCN where Ln = Y (3) and Dy (4), were synthesized. Compounds 1 and 2 were obtained under ambient conditions, whereas 3 and 4 were obtained via a solvothermal transformation process by heating 1 or 2 at 120 °C in MeCN. The magnetic properties of all four compounds have been measured and show that compounds 2 and 4 containing Dy(III) ions exhibit slow relaxation of magnetization characteristic of Single Molecule Magnetic (SMM) behaviour.

  6. Effects of the surroundings and conformerisation of n-dodecane molecules on evaporation/condensation processes.

    PubMed

    Gun'ko, Vladimir M; Nasiri, Rasoul; Sazhin, Sergei S

    2015-01-21

    The evaporation/condensation coefficient (β) and the evaporation rate (γ) for n-dodecane vs. temperature, gas pressure, gas and liquid density, and solvation effects at a droplet surface are analysed using quantum chemical density functional theory calculations of several ensembles of conformers of n-dodecane molecules in the gas phase (hybrid functional ωB97X-D with the cc-pVTZ and cc-pVDZ basis sets) and in liquid phase (solvation method: SMD/ωB97X-D). It is shown that β depends more strongly on a number of neighbouring molecules interacting with an evaporating molecule at a droplet surface (this number is estimated through changes in the surface Gibbs free energy of solvation) than on pressure in the gas phase or conformerisation and cross-conformerisation of molecules in both phases. Thus, temperature and the surrounding effects at droplet surfaces are the dominant factors affecting the values of β for n-dodecane molecules. These values are shown to be similar (at reduced temperatures T/Tc < 0.8) or slightly larger (at T/Tc > 0.8) than the values of β calculated by the molecular dynamics force fields (MD FF) methods. This endorses the reliability of the previously developed classical approach to estimation of β by the MD FF methods, except at temperatures close to the critical temperature.

  7. Effects of the surroundings and conformerisation of n-dodecane molecules on evaporation/condensation processes

    SciTech Connect

    Gun’ko, Vladimir M.; Nasiri, Rasoul; Sazhin, Sergei S.

    2015-01-21

    The evaporation/condensation coefficient (β) and the evaporation rate (γ) for n-dodecane vs. temperature, gas pressure, gas and liquid density, and solvation effects at a droplet surface are analysed using quantum chemical density functional theory calculations of several ensembles of conformers of n-dodecane molecules in the gas phase (hybrid functional ωB97X-D with the cc-pVTZ and cc-pVDZ basis sets) and in liquid phase (solvation method: SMD/ωB97X-D). It is shown that β depends more strongly on a number of neighbouring molecules interacting with an evaporating molecule at a droplet surface (this number is estimated through changes in the surface Gibbs free energy of solvation) than on pressure in the gas phase or conformerisation and cross-conformerisation of molecules in both phases. Thus, temperature and the surrounding effects at droplet surfaces are the dominant factors affecting the values of β for n-dodecane molecules. These values are shown to be similar (at reduced temperatures T/T{sub c} < 0.8) or slightly larger (at T/T{sub c} > 0.8) than the values of β calculated by the molecular dynamics force fields (MD FF) methods. This endorses the reliability of the previously developed classical approach to estimation of β by the MD FF methods, except at temperatures close to the critical temperature.

  8. Synodic and Semiannual Oscillations of Argon-40 in the Lunar Exosphere

    NASA Technical Reports Server (NTRS)

    Hodges, R. Richard, Jr.; Mahaffy, Paul R.

    2016-01-01

    The neutral mass spectrometer on the Lunar Atmosphere and Dust Environment Explorer (LADEE) spacecraft collected a trove of exospheric data, including a set of high-quality measurements of radiogenic Ar-40 over a period of 142 days. Data synthesis studies, using well-established exosphere simulation tools, show that the LADEE argon data are consistent with an exosphere-regolith interaction that is dominated by adsorption and that the desorption process generates the Armand distribution of exit velocities. The synthesis work has uncovered an apparent semiannual oscillation of argon that is consistent with temporal sequestration in the seasonal cold traps created at the poles by the obliquity of the Moon. In addition, the LADEE data provide new insight into the pristine nature of lunar regolith, its spatially varying sorption properties, and the influence of sorption processes on the synodic oscillation of the argon exosphere.

  9. Synodic and semiannual oscillations of argon-40 in the lunar exosphere

    NASA Astrophysics Data System (ADS)

    Hodges, R. Richard; Mahaffy, Paul R.

    2016-01-01

    The neutral mass spectrometer on the Lunar Atmosphere and Dust Environment Explorer (LADEE) spacecraft collected a trove of exospheric data, including a set of high-quality measurements of radiogenic 40Ar over a period of 142 days. Data synthesis studies, using well-established exosphere simulation tools, show that the LADEE argon data are consistent with an exosphere-regolith interaction that is dominated by adsorption and that the desorption process generates the Armand distribution of exit velocities. The synthesis work has uncovered an apparent semiannual oscillation of argon that is consistent with temporal sequestration in the seasonal cold traps created at the poles by the obliquity of the Moon. In addition, the LADEE data provide new insight into the pristine nature of lunar regolith, its spatially varying sorption properties, and the influence of sorption processes on the synodic oscillation of the argon exosphere.

  10. Understanding the charge-transfer state and singlet exciton emission from solution-processed small-molecule organic solar cells.

    PubMed

    Ran, Niva A; Kuik, Martijn; Love, John A; Proctor, Christopher M; Nagao, Ikuhiro; Bazan, Guillermo C; Nguyen, Thuc-Quyen

    2014-11-19

    Electroluminescence (EL) from the charge-transfer state and singlet excitons is observed at low applied voltages from high-performing small-molecule bulk-heterojunction solar cells. Singlet emission from the blends emerges upon altering the processing conditions, such as thermal annealing and processing with a solvent additive, and correlates with improved photovoltaic performance. Low-temperature EL measurements are utilized to access the physics behind the singlet emission.

  11. Toward scalable information processing with ultracold polar molecules in an electric field: A numerical investigation

    SciTech Connect

    Bomble, Laeetitia; Pellegrini, Philippe; Ghesquiere, Pierre; Desouter-Lecomte, Michele

    2010-12-15

    We numerically investigate the possibilities of driving quantum algorithms with laser pulses in a register of ultracold NaCs polar molecules in a static electric field. We focus on the possibilities of performing scalable logical operations by considering circuits that involve intermolecular gates (implemented on adjacent interacting molecules) to enable the transfer of information from one molecule to another during conditional laser-driven population inversions. We study the implementation of an arithmetic operation (the addition of 0 or 1 on a binary digit and a carry in) which requires population inversions only and the Deutsch-Jozsa algorithm which requires a control of the phases. Under typical experimental conditions, our simulations show that high-fidelity logical operations involving several qubits can be performed in a time scale of a few hundreds of microseconds, opening promising perspectives for the manipulation of a large number of qubits in these systems.

  12. A small molecule enhances RNA interference and promotes microRNA processing

    PubMed Central

    Shan, Ge; Li, Yujing; Zhang, Junliang; Li, Wendi; Szulwach, Keith E; Duan, Ranhui; Faghihi, Mohammad A; Khalil, Ahmad M; Lu, Lianghua; Paroo, Zain; Chan, Anthony W S; Shi, Zhangjie; Liu, Qinghua; Wahlestedt, Claes; He, Chuan; Jin, Peng

    2010-01-01

    Small interfering RNAs (siRNAs) and microRNAs (miRNAs) are sequence-specific post-transcriptional regulators of gene expression. Although major components of the RNA interference (RNAi) pathway have been identified, regulatory mechanisms for this pathway remain largely unknown. Here we demonstrate that the RNAi pathway can be modulated intracellularly by small molecules. We have developed a cell-based assay to monitor the activity of the RNAi pathway and find that the small-molecule enoxacin (Penetrex) enhances siRNA-mediated mRNA degradation and promotes the biogenesis of endogenous miRNAs. We show that this RNAi-enhancing activity depends on the trans-activation-responsive region RNA-binding protein. Our results provide a proof-of-principle demonstration that small molecules can be used to modulate the activity of the RNAi pathway. RNAi enhancers may be useful in the development of research tools and therapeutics. PMID:18641635

  13. Toward quantum processing in molecules: a THz-bandwidth coherent memory for light.

    PubMed

    Bustard, Philip J; Lausten, Rune; England, Duncan G; Sussman, Benjamin J

    2013-08-23

    The unusual features of quantum mechanics are enabling the development of technologies not possible with classical physics. These devices utilize nonclassical phenomena in the states of atoms, ions, and solid-state media as the basis for many prototypes. Here we investigate molecular states as a distinct alternative. We demonstrate a memory for light based on storing photons in the vibrations of hydrogen molecules. The THz-bandwidth molecular memory is used to store 100-fs pulses for durations up to ~1 ns, enabling ~10(4) operational time bins. The results demonstrate the promise of molecules for constructing compact ultrafast quantum photonic technologies.

  14. Dithienobenzodithiophene-Based Small Molecule Organic Solar Cells with over 7% Efficiency via Additive- and Thermal-Annealing-Free Processing.

    PubMed

    Song, Hyeng Gun; Kim, Yu Jin; Lee, Ji Sang; Kim, Yun-Hi; Park, Chan Eon; Kwon, Soon-Ki

    2016-12-21

    Here we introduce a novel small molecule based on dithienobenzodithiophene and rhodanine, DTBDT-Rho, developed to study the effect of the rhodanine substitutuent on small molecule bulk heterojunction (BHJ) solar cells. DTBDT-Rho possesses distinct crystalline characteristics, sufficient solubility in chlorinated solvents, and broad absorption properties. Therefore, solution-processed BHJ photovoltaic cells made with DTBDT-Rho:PC71BM blends showed an extremely high power conversion efficiency (PCE; 7.10%); notably, this PCE value was obtained without the use of additives or thermal treatments. To our knowledge, the PCE over 7% is a significantly powerful value among rhodanine-based small molecule BHJ solar cells without additives or thermal treatments.

  15. Model of the photoexcitation processes of a two-level molecule coherently coupled to an optical antenna.

    PubMed

    Nakatani, Masatoshi; Nobuhiro, Atsushi; Yokoshi, Nobuhiko; Ishihara, Hajime

    2013-06-07

    We theoretically investigate photoexcitation processes of a two-level molecular system coherently coupled with an antenna system having a significant dissipation. The auxiliary antenna enables the whole system to exhibit anomalous optical effects by controlling the coupling with the molecule. For example, in the weak excitation regime, the quantum interference yields a distinctive energy transparency through the antenna, which drastically reduces the energy dissipation. On the other hand, in the strong excitation regime, a population inversion of the two-level molecule appears due to the nonlinear effect. Both phenomena can be explained by regarding the antenna and molecule as one quantum-mechanically coupled system. Such an approach drives further research to exploit the full potential of the coupled systems.

  16. A Study of the Semiannual Admissions System at the University of Tennessee College of Medicine.

    ERIC Educational Resources Information Center

    Rittenhouse, Carl H.; Weiner, Samuel

    This report describes the program and examines the advantages and disadvantages of the semiannual admissions system used by the University of Tennessee College of Medicine (UTCM). It also considers effects of an accelerated program which together with the use of a semiannual admissions system permit more efficient use of facilities and the…

  17. 31 CFR Appendix B to Part 359 - Composite Semiannual Rate Period Table

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 31 Money and Finance: Treasury 2 2014-07-01 2014-07-01 false Composite Semiannual Rate Period Table B Appendix B to Part 359 Money and Finance: Treasury Regulations Relating to Money and Finance... SAVINGS BONDS, SERIES I Pt. 359, App. B Appendix B to Part 359—Composite Semiannual Rate Period Table...

  18. 40 CFR 60.1895 - If a semiannual report is required, when must I submit it?

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 6 2011-07-01 2011-07-01 false If a semiannual report is required, when must I submit it? 60.1895 Section 60.1895 Protection of Environment ENVIRONMENTAL PROTECTION..., 1999 Model Rule-Reporting § 60.1895 If a semiannual report is required, when must I submit it? (a) For...

  19. 40 CFR 60.1420 - If a semiannual report is required, when must I submit it?

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 6 2011-07-01 2011-07-01 false If a semiannual report is required, when must I submit it? 60.1420 Section 60.1420 Protection of Environment ENVIRONMENTAL PROTECTION... § 60.1420 If a semiannual report is required, when must I submit it? (a) For data collected during the...

  20. 77 FR 8034 - Semiannual Regulatory Agenda and Fiscal Year 2011 Regulatory Plan

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-02-13

    ... February 13, 2012 Part XXI Bureau of Consumer Financial Protection Semiannual Regulatory Agenda #0;#0;Federal Register / Vol. 77 , No. 29 / Monday, February 13, 2012 / Unified Agenda#0;#0; ] BUREAU OF CONSUMER FINANCIAL PROTECTION 12 CFR Ch. X Semiannual Regulatory Agenda and Fiscal Year 2011...

  1. 31 CFR 359.11 - What is the semiannual inflation rate?

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ..., will be expressed as a percentage, rounded to the nearest one-hundredth of one percent. More specifically, the semiannual inflation rate will be determined by the following formula (the resulting rate will be rounded to the nearest one-hundredth of one percent): Semiannual inflation rate = (CPI...

  2. 40 CFR 62.15350 - If a semiannual report is required, when must I submit it?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 9 2013-07-01 2013-07-01 false If a semiannual report is required, when must I submit it? 62.15350 Section 62.15350 Protection of Environment ENVIRONMENTAL PROTECTION... it? (a) For data collected during the first half of a calendar year, submit your semiannual report...

  3. All-optical signal processing at 10 GHz using a photonic crystal molecule

    SciTech Connect

    Combrié, Sylvain; Lehoucq, Gaëlle; Junay, Alexandra; De Rossi, Alfredo; Malaguti, Stefania; Bellanca, Gaetano; Trillo, Stefano; Ménager, Loic; Peter Reithmaier, Johann

    2013-11-04

    We report on 10 GHz operation of an all-optical gate based on an Indium Phosphide Photonic Crystal Molecule. Wavelength conversion and all-optical mixing of microwave signals are demonstrated using the 2 mW output of a mode locked diode laser. The spectral separation of the optical pump and signal is crucial in suppressing optical cross-talk.

  4. Vibrational relaxation in H/sub 2/ molecules by wall collisions: applications to negative ion source processes

    SciTech Connect

    Karo, A.M.; Hiskes, J.R.; Hardy, R.J.

    1984-10-01

    In the volume of a hydrogen discharge, H/sub 2/ molecules, excited to high vibrational levels (v'' > 6), are formed either by fast-electron collisions or from H/sub 2//sup +/ ions that are accelerated across the discharge-wall potential that undergo Auger neutralization prior to impact with the discharge chamber wall. We have used computer molecular dynamics to study the de-excitation and re-excitation of vibrationally-excited H/sub 2/ molecules undergoing repeated wall collisions. The initial translational energies range from thermal to 100 eV and the initial vibrational states range from v'' = 2 to v'' = 12. The average loss or gain of vibrational, rotational, translational, and total molecular energies and the survival rates of the molecules have been evaluated. At thermal energies vibrational de-excitation is the predominant process, and a consistent picture emerges of rapid energy redistribution into all the molecular degrees of freedom and a slower rate of loss of total molecular energy to the wall. At higher translational energies (1 to 100 eV) a substantial fraction of the molecules survive with large (v'' > 6) vibrational energy. This vibrational population provides a contribution to the total excited vibrational population comparable to that from the fast-electron collision process.

  5. Mass spectroscopic approach to amino acids formation processes by UV irradiation to simple organic molecules in aqueous solution.

    PubMed

    Morita, Masaki; Harada, Yoshie; Iseki, Kunihiro; Izumi, Shunsuke; Hiraya, Atsunari

    2005-09-01

    We have studied amino acid formation by UV (193 nm) irradiation to organic molecules (amines, alcohols and amides) in aqueous solution. Among several types of detected amino acids, small aliphatic amino acids (Gly and alpha-, beta-Ala and alpha-, beta-, gamma-ABA) were quantitatively identified. Among these small aliphatic amino acids, certain amino acids were formed in its free form, even before hydrolysis, contrary to the results of UV irradiation to a gas mixture of CO, NH3, and H2O, where amino acids were hardly detected before hydrolysis. The species distribution of identified amino acids showed a dependence on the starting organic molecules, and also on the presence of ammonia. The formation processes of the identified small aliphatic amino acids were investigated with the aid of electrospray ionization (ESI) MS and MS/MS measurements of photoproducts. Possible formation processes of these amino acid precursors from each starting molecules are proposed. By identifying the amino acid precursor, which has a chiral carbon atom, a new possibility is suggested for asymmetric photosynthesis of amino acid from achiral organic molecules.

  6. Influence of the water molecules near surface of viral protein on virus activation process

    NASA Astrophysics Data System (ADS)

    Shepelenko, S. O.; Salnikov, A. S.; Rak, S. V.; Goncharova, E. P.; Ryzhikov, A. B.

    2009-06-01

    The infection of a cell with influenza virus comprises the stages of receptor binding to the cell membrane, endocytosis of virus particle, and fusion of the virus envelope and cell endosome membrane, which is determined by the conformational changes in hemagglutinin, a virus envelope protein, caused by pH decrease within the endosome. The pH value that induces conformation rearrangements of hemagglutinin molecule considerably varies for different influenza virus strains, first and foremost, due to the differences in amino acid structure of the corresponding proteins. The main goal of this study was to construct a model making it possible to assess the critical pH value characterizing the fusogenic activity of influenza virus hemagglutinin from the data on hemagglutinin structure and experimental verification of this model. Under this model, we assume that when the electrostatic force between interacting hemagglutinin molecules in the virus envelop exceeds a certain value, the hemagglutinin HA1 subunits are arranged so that they form a cavity sufficient for penetration of water molecules. This event leads to an irreversible hydration of the inner fragments of hemagglutinin molecule in a trimer and to the completion of conformational changes. The geometry of electrostatic field in hemagglutinin trimer was calculated taking into account the polarization effects near the interface of two dielectrics, aqueous medium and protein macromolecule. The critical pH values for the conformational changes in hemagglutinin were measured by the erythrocyte hemolysis induced by influenza virus particles when decreasing pH. The critical pH value conditionally separating the pH range into the regions with and without the conformational changes was calculated for several influenza virus H1N1 and H3N2 strains based on the data on the amino acid structure of the corresponding hemagglutinin molecules. Comparison of the theoretical and experimental values of critical pH values for

  7. Federal Energy Resources Modernization Coordinating Committee. Semiannual Report, October 1, 1991 Through March 31, 1992

    SciTech Connect

    Parker, G B

    1992-07-01

    This report summarizes the broad range of activities supported by Federal Energy Management Program (FEMP) and other federal agencies focused on meeting the President`s Executive Order on Federal Energy Management promulgated to meet energy savings goals and encourage more efficient management of all federal energy resources. These activities are reported semiannually under the auspices of the FERM Coordinating Committee, and as such include activities undertaken from October 1, 1991, through March 31, 1992. The activities reported are classified into four major categories: (1) technology-base support, which includes development of processes, software, metering and monitoring equipment and strategies, and other tools for the federal energy manager to better understand and characterize their energy resources; (2) federal energy systems testing and monitoring; (3) federal energy systems modernization projects at federal installations in cooperation with the utilities serving the sites; and (4) energy supply, distribution and end-use conservation assessment for federal agencies and/or facilities.

  8. Photoreceptor-based magnetoreception: optimal design of receptor molecules, cells, and neuronal processing

    PubMed Central

    Ritz, Thorsten; Ahmad, Margaret; Mouritsen, Henrik; Wiltschko, Roswitha; Wiltschko, Wolfgang

    2010-01-01

    The sensory basis of magnetoreception in animals still remains a mystery. One hypothesis of magnetoreception is that photochemical radical pair reactions can transduce magnetic information in specialized photoreceptor cells, possibly involving the photoreceptor molecule cryptochrome. This hypothesis triggered a considerable amount of research in the past decade. Here, we present an updated picture of the radical-pair photoreceptor hypothesis. In our review, we will focus on insights that can assist biologists in their search for the elusive magnetoreceptors. PMID:20129953

  9. Low-energy electron scattering by N2 molecules physisorbed on Ag: Study of the resonant vibrational excitation process

    NASA Astrophysics Data System (ADS)

    Djamo, V.; Teillet-Billy, D.; Gauyacq, J. P.

    1995-02-01

    Molecules adsorbed on a metal surface can be excited by low-energy electron impact. Resonant processes in which an intermediate negative ion is formed during the collision are very efficient. The resonant vibrational excitation of N2 molecules physisorbed on Ag by low-energy electrons is studied theoretically with the coupled-angular-mode method. The influence of the neighboring surface on the excitation process (including the excitation of overtones) is analyzed. The results are compared with the experimental results of Demuth, Schmeisser, and Avouris. It is found that in a scattering experiment, most of the vibrational excitation concerns electrons that are inelastically scattered into the metal and are thus not observed experimentally.

  10. Non-basic high-performance molecules for solution-processed organic solar cells.

    PubMed

    van der Poll, Thomas S; Love, John A; Nguyen, Thuc-Quyen; Bazan, Guillermo C

    2012-07-17

    A new small molecule, p-DTS(FBTTh(2))(2), is designed for incorporation into solution-fabricated high-efficiency organic solar cells. Of primary importance is the incorporation of electron poor heterocycles that are not prone to protonation and thereby enable the incorporation of commonly used interlayers between the organic semiconductor and the charge collecting electrodes. These features have led to the creation of p-DTS(FBTTh(2))(2)/PC(71)BM solar cells with power conversion efficiencies of up to 7%.

  11. Polarized optical waveguide spectroscopy: Effective tool to analyze adsorption process of dye molecules

    NASA Astrophysics Data System (ADS)

    Ohno, Hiroyuki; Taniguchi, Keisuke; Fujita, Kyoko

    2009-05-01

    Real time changes of the molecular orientational state are readily analyzed with polarized optical waveguide (POW) spectroscopy. Assembly or orientation of over 20 different dye molecules in solution have been analyzed during air-drying. The dynamic behavior of dyes including both orientational direction and degree of aggregation has been discussed with the key group structures of dyes. We suggest that certain interaction between dimethylimino residue of dyes and silanol residue of the waveguide surface should be responsible for these orientational changes. Furthermore, greater aggregation of these dyes tended to give rise to perpendicular orientation on the waveguide surface.

  12. Comment on "Gamma-ray spectra from low-energy positron annihilation processes in molecules"

    NASA Astrophysics Data System (ADS)

    Green, D. G.; Gribakin, G. F.

    2017-03-01

    In the article by Ma et al. [Phys. Rev. A 94, 052709 (2016), 10.1103/PhysRevA.94.052709], γ -ray spectra for positron annihilation on molecules were calculated in the independent-particle approximation with the positron wave function set to unity. Based on comparisons with experimental data, they concluded that inner valence electrons play a dominant role in positron annihilation. These conclusions are incorrect and resulted from fallacious analysis that ignored the known effect of the positron wave function on the spectra.

  13. DNA sequences, recombinant DNA molecules and processes for producing bovine growth hormone-like polypeptides in high yield

    SciTech Connect

    Buell, G.N.

    1987-09-15

    This patent describes a process for increasing the yield of a bovine growth hormone-like polypeptide to at least 100 times that of a bovine growth hormone-like polypeptide encoded by a DNA sequence. The process comprises the steps of culturing a host transformed with a recombinant DNA molecule comprising DNA sequence encoding a Met ..lambda.. or ..lambda.. bovine growth hormone-like polypetide operatively linked to an expression control sequence. The ..lambda.. is an amino terminal deletion from the amino acid sequence of mature bovine growth hormone.

  14. Chemogenomics and parasitology: small molecules and cell-based assays to study infectious processes.

    PubMed

    Muskavitch, Marc A T; Barteneva, Natasha; Gubbels, Marc-Jan

    2008-09-01

    Infectious diseases caused by protozoan parasites--malaria, sleeping sickness, leishmaniasis, Chagas' disease, toxoplasmosis--remain chronic problems for humanity. We lack vaccines and have limited drug options effective against protozoa. Research into anti-protozoan drugs has accelerated with improved in vitro cultivation methods, enhanced genetic accessibility, completed genome sequences for key protozoa, and increased prominence of protozoan diseases on the agendas of well-resourced public figures and foundations. Concurrent advances in high-throughput screening (HTS) technologies and availability of diverse small molecule libraries offer the promise of accelerated discovery of new drug targets and new drugs that will reduce disease burdens imposed on humanity by parasitic protozoa. We provide a status report on HTS technologies in hand and cell-based assays under development for biological investigations and drug discovery directed toward the three best-characterized parasitic protozoa: Trypanosoma brucei, Plasmodium falciparum, and Toxoplasma gondii. We emphasize cell growth assays and new insights into parasite cell biology speeding development of better cell-based assays, useful in primary screens for anti-protozoan drug leads and secondary screens to decipher mechanisms of action of leads identified in growth assays. Small molecules that interfere with specific aspects of protozoan biology, identified in such screens, will be valuable tools for dissecting parasite cell biology and developing anti-protozoan drugs. We discuss potential impacts on drug development of new consortia among academic, corporate, and public partners committed to discovery of new, effective anti-protozoan drugs.

  15. Spatial-temporal patterns and driving mechanisms of semiannual variations in the Philippine Sea

    NASA Astrophysics Data System (ADS)

    Zhao, Jun; Li, Yuanlong; Wang, Fan; Zhai, Fangguo; Yu, Xiaolin

    2012-10-01

    Satellite altimetric sea surface height (SSH) measurements from 1992 through 2010 are used to explore the oceanic semiannual variations in the Philippine Sea (PS). Pronounced semiannual SSH variations are detected within two zonal bands. One lies east of Luzon Strait (19°-22°N) in the northern PS, while the other is southeast of Mindanao coast (4°-7°N) in the southern PS. In the two near-coast boxes where semiannual harmonic amplitude exceeds 4 cm, the northern box (127°-133°E, 19°-22°N) and the southern box (127°-133°E, 4°-7°N), semiannual changes contribute considerably to the total annual SSH variance by 12% and 17%, respectively. Despite prominent SSH variability, the bifurcation latitude of the North Equatorial Current (NBL) exhibits weak fluctuations with a peak-to-peak difference of only 0.3° on semiannual time scale. While the in-phase annual SSH variations between the two boxes work together to enhance annual NBL changes, their out-of-phase semiannual SSH variations offset each other in driving the NBL displacements. Further analysis with a 11/2-layer reduced-gravity model forced by ECMWF wind stress reveals that the observed semiannual SSH variations are primarily driven by local wind forcing in the far western Pacific. Rossby wave signals propagating from the eastern/central Pacific contribute much less due to along-path dispersion and cancellation. Semiannual signals of wind field in the northern PS reflect mainly the semiannual changes of the Asian Monsoon system, while those in the southern PS arise from the combined effects of Monsoon transition and the annual migration of the intertropical convergence zone (ITCZ).

  16. Biomarker Sensors and Method for Multi-Color Imaging and Processing of Single-Molecule Life Signatures

    NASA Technical Reports Server (NTRS)

    Wade, Lawrence A. (Inventor); Collier, Charles Patrick (Inventor)

    2013-01-01

    The invention is a device including array of active regions for use in reacting one or more species in at least two of the active regions in a sequential process, e.g., sequential reactions. The device has a transparent substrate member, which has a surface region and a silane material overlying the surface region. A first active region overlies a first portion of the silane material. The first region has a first dimension of less than 1 micron in size and has first molecules capable of binding to the first portion of the silane material. A second active region overlies a second portion of the silane material. The second region has a second dimension of less than 1 micron in size, second molecules capable of binding to the second portion of the active region, and a spatial distance separates the first active region and the second active region.

  17. Solution-processed and high-performance organic solar cells using small molecules with a benzodithiophene unit.

    PubMed

    Zhou, Jiaoyan; Zuo, Yi; Wan, Xiangjian; Long, Guankui; Zhang, Qian; Ni, Wang; Liu, Yongsheng; Li, Zhi; He, Guangrui; Li, Chenxi; Kan, Bin; Li, Miaomiao; Chen, Yongsheng

    2013-06-12

    Three small molecules named DR3TBDTT, DR3TBDTT-HD, and DR3TBD2T with a benzo[1,2-b:4,5-b']dithiophene (BDT) unit as the central building block have been designed and synthesized for solution-processed bulk-heterojunction solar cells. Power conversion efficiencies (PCEs) of 8.12% (certified 7.61%) and 8.02% under AM 1.5G irradiation (100 mW cm(-2)) have been achieved for DR3TBDTT- and DR3TBDT2T-based organic photovoltaic devices (OPVs) with PC71BM as the acceptor, respectively. The better PCEs were achieved by improving the short-circuit current density without sacrificing the high open-circuit voltage and fill factor through the strategy of incorporating the advantages of both conventional small molecules and polymers for OPVs.

  18. Impact of the electron-transport layer on the performance of solution-processed small-molecule organic solar cells.

    PubMed

    Long, Guankui; Wan, Xiangjian; Kan, Bin; Hu, Zhicheng; Yang, Xuan; Zhang, Yi; Zhang, Mingtao; Wu, Hongbing; Huang, Fei; Su, Shijian; Cao, Yong; Chen, Yongsheng

    2014-08-01

    Although the performance of polymer solar cells has been improved significantly recently through careful optimization with different interlayers for the same materials, more improvement is needed in this respect for small-molecule-based solar cells, particularly for the electron-transport layers (ETLs). In this work, three different solution-processed ETLs, PFN, ZnO nanoparticles, and LiF, were investigated and compared in the performance of small-molecule-based devices, and power conversion efficiencies (PCEs) of 8.32, 7.30, and 7.38% were achieved, respectively. The mechanism for the ETL-induced enhancement has been studied, and different ETLs have a significantly different impact on the device performance. The clearly improved performance of PFN is attributed to the combination of reduced bimolecular recombination and increased effective photon absorption in the active layer.

  19. Coulomb explosion and binary encounter processes in collisions between slow ions and small molecules of biological interest

    SciTech Connect

    Juhasz, Z.; Sulik, B.

    2008-12-08

    In this work we study the ion impact induced fragmentation of small molecules, which are relevant for radiation damage studies in biological tissues. We present double differential ion emission yields for collisions of N{sup 6+} ions with water and methane molecules at 15 and 30 keV impact energies. The angular distribution of the fragment ions shows post-collision and nucleus-nucleus binary collision effects. In the multiple capture energy range, a strong interplay is indicated between the Coulomb explosion and the binary collision mechanisms. In the energy region, where triple capture is dominant, an unexpected angular distribution was found for water fragments, which may be attributed to orientation sensitivity of some of the capture channels. Such processes are relevant for astrophysics and radiation therapy.

  20. Effects of Nitrogen and Oxygen Radicals on Low-Temperature Bio-Molecule Processing

    NASA Astrophysics Data System (ADS)

    Motrescu, Iuliana; Ogino, Akihisa; Tanaka, Shigeyasu; Fujiwara, Taketomo; Kodani, Shinya; Kawagishi, Hirokazu; Popa, Gheorghe; Nagatsu, Masaaki

    2011-08-01

    The mechanism by which microwave plasma is able to modify the structure and function of proteinaceous molecules is investigated. The biomolecule cystine, a dimer aminoacid, was exposed to microwave surface wave plasma produced in reactive gases, such as oxygen and nitrogen, in different conditions. Except for the physical interactions of the charged particles with the samples and the photophysical reactions induced mostly by ultraviolet radiation, these plasmas contain reactive species which promote chemical interactions. In this study we focus on the changes of biomolecules due to neutral particles inside reactive plasmas. The results proved that the effects of neutrals and charged species are not cumulative. Moreover, it seems that the charged species inside the nitrogen plasma promote nitrogen addition while the outcome of neutral exposure is cleavage. Strong oxidation occurs for oxygen treatments, most reactive species which cause oxygen addition being the oxygen molecular ions O2+.

  1. Processive Incorporation of Deoxynucleoside Triphosphate Analogs by Single-Molecule DNA Polymerase I (Klenow Fragment) Nanocircuits.

    PubMed

    Pugliese, Kaitlin M; Gul, O Tolga; Choi, Yongki; Olsen, Tivoli J; Sims, Patrick C; Collins, Philip G; Weiss, Gregory A

    2015-08-05

    DNA polymerases exhibit a surprising tolerance for analogs of deoxyribonucleoside triphosphates (dNTPs), despite the enzymes' highly evolved mechanisms for the specific recognition and discrimination of native dNTPs. Here, individual DNA polymerase I Klenow fragment (KF) molecules were tethered to a single-walled carbon nanotube field-effect transistor (SWCNT-FET) to investigate accommodation of dNTP analogs with single-molecule resolution. Each base incorporation accompanied a change in current with its duration defined by τclosed. Under Vmax conditions, the average time of τclosed was similar for all analog and native dNTPs (0.2 to 0.4 ms), indicating no kinetic impact on this step due to analog structure. Accordingly, the average rates of dNTP analog incorporation were largely determined by durations with no change in current defined by τopen, which includes molecular recognition of the incoming dNTP. All α-thio-dNTPs were incorporated more slowly, at 40 to 65% of the rate for the corresponding native dNTPs. During polymerization with 6-Cl-2APTP, 2-thio-dTTP, or 2-thio-dCTP, the nanocircuit uncovered an alternative conformation represented by positive current excursions that does not occur with native dNTPs. A model consistent with these results invokes rotations by the enzyme's O-helix; this motion can test the stability of nascent base pairs using nonhydrophilic interactions and is allosterically coupled to charged residues near the site of SWCNT attachment. This model with two opposing O-helix motions differs from the previous report in which all current excursions were solely attributed to global enzyme closure and covalent-bond formation. The results suggest the enzyme applies a dynamic stability-checking mechanism for each nascent base pair.

  2. Quantitative evaluations of mechanisms of radiofrequency interactions with biological molecules and processes.

    PubMed

    Sheppard, Asher R; Swicord, Mays L; Balzano, Quirino

    2008-10-01

    The complexity of interactions of electromagnetic fields up to 10(12) Hz with the ions, atoms, and molecules of biological systems has given rise to a large number of established and proposed biophysical mechanisms applicable over a wide range of time and distance scales, field amplitudes, frequencies, and waveforms. This review focuses on the physical principles that guide quantitative assessment of mechanisms applicable for exposures at or below the level of endogenous electric fields associated with development, wound healing, and excitation of muscles and the nervous system (generally, 1 to 10(2) V m(-1)), with emphasis on conditions where temperature increases are insignificant (<1 K). Experiment and theory demonstrate possible demodulation at membrane barriers for frequencies < or =10 MHz, but not at higher frequencies. Although signal levels somewhat below system noise can be detected, signal-to-noise ratios substantially less than 0.1 cannot be overcome by cooperativity, signal averaging, coherent detection, or by nonlinear dynamical systems. Sensory systems and possible effects on biological magnetite suggest paradigms for extreme sensitivity at lower frequencies, but there are no known radiofrequency (RF) analogues. At the molecular level, vibrational modes are so overdamped by water molecules that excitation of molecular modes below the far infrared cannot occur. Two RF mechanisms plausibly may affect biological matter under common exposure conditions. For frequencies below approximately 150 MHz, shifts in the rate of chemical reactions can be mediated by radical pairs and, at all frequencies, dielectric and resistive heating can raise temperature and increase the entropy of the affected biological system.

  3. Synthesis of Large Molecules in Cometary Ice Analogs: Physical Properties Related to Self-Assembly Processes

    NASA Technical Reports Server (NTRS)

    Dworkin, Jason P.; Sandford, Scott A.; Deamer, David W.; Gillette, J. Seb; Zare, Richard N.; Allamandola, Louis J. (Technical Monitor)

    1999-01-01

    The combination of realistic laboratory simulations and infrared observations have revolutionized our understanding of interstellar dust and ice-the main component of comets. Since comets and carbonaceous micrometeorites may have been important sources of volatiles and carbon compounds on the early Earth, their organic composition may be related to the origin of life. Ices on grains in molecular clouds contain a variety of simple molecules. The D/H ratios of the comets Hale-Bopp and Hyakutake are consistent with a primarily interstellar ice mixture. Within the cloud and especially in the presolar nebula through the early solar system, these icy grains would have been photoprocessed by the ultraviolet producing more complex species such as hexamethylenetetramine, polyoxymethylenes, and simple keones. We reported at the 1999 Bioastronomy meeting laboratory simulations studied to identify the types of molecules which could have been generated in pre-cometary ices. Experiments were conducted by forming a realistic interstellar mixed-molecular ice (H2O, CH3OH, NH3 and CO) at approximately 10 K under high vacuum irradiated with UV light from a hydrogen plasma lamp. The gas mixture was typically 100:50:1:1, however when different ratios were used material with similar characteristics was still produced. The residue that remained after warming to room temperature was analyzed by HPLC, and by several mass spectrometric methods. This material contains a rich mixture of complex compounds with mass spectral profiles resembling those found in IDPs and meteorites. Surface tension measurements show that an amphiphilic component is also present. These species do not appear in various controls or in unphotolyzed samples. Residues from the simulations were also dispersed in aqueous media for microscopy. The organic material forms 10-40 gm diameter droplets that fluoresce at 300-450 nm under UV excitation. These droplets have a morphology and internal structure which appear

  4. Synthesis of Large Molecules in Cometary Ice Analogs: Physical Properties Related to Self-Assembly Processes

    NASA Technical Reports Server (NTRS)

    Dworkin, Jason P.; Sandford, Scott A.; Deamer, David W.; Gillette, J. Seb; Zare, Richard N.; Allamandola, Louis J. (Technical Monitor)

    1999-01-01

    The combination of realistic laboratory simulations and infrared observations have revolutionized our understanding of interstellar dust and ice-the main component of comets. Since comets and carbonaceous micrometeorites may have been important sources of volatiles and carbon compounds on the early Earth, their organic composition may be related to the origin of life. Ices on grains in molecular clouds contain a variety of simple molecules. The D/H ratios of the comets Hale-Bopp and Hyakutake are consistent with a primarily interstellar ice mixture. Within the cloud and especially in the presolar nebula through the early solar system, these icy grains would have been photoprocessed by the ultraviolet producing more complex species such as hexamethylenetetramine, polyoxymethylenes, and simple keones. We reported at the 1999 Bioastronomy meeting laboratory simulations studied to identify the types of molecules which could have been generated in pre-cometary ices. Experiments were conducted by forming a realistic interstellar mixed-molecular ice (H2O, CH3OH, NH3 and CO) at approximately 10 K under high vacuum irradiated with UV light from a hydrogen plasma lamp. The gas mixture was typically 100:50:1:1, however when different ratios were used material with similar characteristics was still produced. The residue that remained after warming to room temperature was analyzed by HPLC, and by several mass spectrometric methods. This material contains a rich mixture of complex compounds with mass spectral profiles resembling those found in IDPs and meteorites. Surface tension measurements show that an amphiphilic component is also present. These species do not appear in various controls or in unphotolyzed samples. Residues from the simulations were also dispersed in aqueous media for microscopy. The organic material forms 10-40 gm diameter droplets that fluoresce at 300-450 nm under UV excitation. These droplets have a morphology and internal structure which appear

  5. PDMS-glass bonding using grafted polymeric adhesive--alternative process flow for compatibility with patterned biological molecules.

    PubMed

    Beh, Cyrus Weijie; Zhou, Weizhuang; Wang, Tza-Huei

    2012-10-21

    We report a novel modification of silicone elastomer polydimethylsiloxane (PDMS) with a polymer graft that allows interfacial bonding between an elastomer and glass substrate to be performed without exposure of the substrate to harsh treatment conditions, such as oxygen plasma. Organic molecules can thus be patterned within microfluidic channels and still remain functional post-bonding. In addition, after polymer grafting the PDMS can be stored in a desiccator for at least 40 days, and activated upon exposure to acidic buffer for bonding. The bonded devices remain fully bonded in excess of 80 psi driving pressure, with no signs of compromise to the bond integrity. Finally, we demonstrate the compatibility of our method with biological molecules using a proof-of-concept DNA sensing device, in which fluorescently-labelled DNA targets are successfully captured by a patterned probe in a device sealed using our method, while the pattern on a plasma-treated device was completely destroyed. Therefore, this method provides a much-needed alternative bonding process for incorporation of biological molecules in microfluidic devices.

  6. PDMS-Glass bonding using grafted polymeric adhesive - Alternative process flow for compatibility with patterned biological molecules

    PubMed Central

    Beh, Cyrus Weijie; Zhou, Weizhuang

    2013-01-01

    We report a novel modification of silicone elastomer, polydimethylsiloxane (PDMS) with a polymer graft that allows interfacial bonding between elastomer and glass substrate to be performed without exposure of said substrate to harsh treatment conditions like oxygen plasma. Organic molecules can thus be patterned within microfluidic channels and still remain functional post-bonding. In addition, after polymer grafting the PDMS can be stored in a desiccator for at least 40 days, and activated upon exposure to acidic buffer for bonding. The bonded devices remain fully bonded in excess of 80 psi driving pressure, with no signs of compromise to the bond integrity. Finally, we demonstrate the compatibility of our method with biological molecules using a proof-of-concept DNA sensing device, in which fluorescently-labelled DNA targets are successfully captured by a patterned probe in a device sealed using our method, while the pattern on a plasma-treated device was completely destroyed. Therefore, this method provides a much-needed alternative bonding process for incorporation of biological molecules in microfluidic devices. PMID:22858861

  7. Single-molecule optical study of cholesterol-mediated dimerization process of EGFRs in different cell lines

    NASA Astrophysics Data System (ADS)

    Lin, Chien Yu; Huang, Jung Y.; Lo, Leu-Wei

    2015-03-01

    A growing body of data reveals that the membrane cholesterol molecules can alter the signaling pathways of living cells. However, the understanding about how membrane cholesterol modulates receptor proteins remains lacking. In this study we applies single-molecule optical tracking on ligand-induced dimerization process of EGFRs in the plasma membranes of several cancer and normal cell lines. We tracked individual EGFR and dual correlated receptors in the plasma membranes of live cells. We developed an energetic model based on the generalized Langevin equation and the Cahn-Hilliard equation to help extracting information from single-molecule trajectories. From the study, we discovered that ligand-bound EGFRs move from non-raft areas into lipid raft domains. This ligand-induced motion is a common behavior for all cell lines under study. By manipulating the total amount of cholesterol with methyl- β-cyclodextrin and the local concentration of cholesterol with nystatin, we found that the amount of cholesterol can affect the stability of EGFR dimers. The EGFR dimers in the plasma membrane of normal cells are more sensitive to the local concentration changes of cholesterol than EGFR dimers in the cancer cells.

  8. Transformations of biomass-derived platform molecules: from high added-value chemicals to fuels via aqueous-phase processing.

    PubMed

    Serrano-Ruiz, Juan Carlos; Luque, Rafael; Sepúlveda-Escribano, Antonio

    2011-11-01

    Global warming issues and the medium-term depletion of fossil fuel reserves are stimulating researchers around the world to find alternative sources of energy and organic carbon. Biomass is considered by experts the only sustainable source of energy and organic carbon for our industrial society, and it has the potential to displace petroleum in the production of chemicals and liquid transportation fuels. However, the transition from a petroleum-based economy to one based on biomass requires new strategies since the petrochemical technologies, well-developed over the last century, are not valid to process the biomass-derived compounds. Unlike petroleum feedstocks, biomass derived platform molecules possess a high oxygen content that gives them low volatility, high solubility in water, high reactivity and low thermal stability, properties that favour the processing of these resources by catalytic aqueous-phase technologies at moderate temperatures. This tutorial review is aimed at providing a general overview of processes, technologies and challenges that lie ahead for a range of different aqueous-phase transformations of some of the key biomass-derived platform molecules into liquid fuels for the transportation sector and related high added value chemicals.

  9. Controlling the formation process and atomic structures of single pyrazine molecular junction by tuning the strength of the metal-molecule interaction.

    PubMed

    Kaneko, Satoshi; Takahashi, Ryoji; Fujii, Shintaro; Nishino, Tomoaki; Kiguchi, Manabu

    2017-04-12

    The formation process and atomic structures were investigated for single pyrazine molecular junctions sandwiched by three different Au, Ag, and Cu electrodes using a mechanically controllable break junction technique in ultrahigh vacuum conditions at 300 K. We demonstrated that the formation process of the single-molecule junction crucially depended on the choice of the metal electrodes. While single-molecule junction showing two distinct conductance states were found for the Au electrodes, only the single conductance state was evident for the Ag electrodes, and there was no junction formation for the Cu electrodes. These results suggested that metal-molecule interaction dominates the formation process and probability of the single-molecule junction. In addition to the metal-molecule interaction, temperature affected the formation process of the single-molecule junction. The single pyrazine molecular junction formed between Au electrodes exhibited significant temperature dependence where the junction-formation probability was about 8% at 300 K, while there was no junction-formation at 100 K. Instead of the junction formation, an Au atomic wire was formed at the low temperature. This study provides insight into the tuning of the junction-forming process for single-molecule junctions, which is needed to construct device structures on a single molecule scale.

  10. 40 CFR 62.15350 - If a semiannual report is required, when must I submit it?

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... it? (a) For data collected during the first half of a calendar year, submit your semiannual report by August 1 of that year. (b) For data you collected during the second half of the calendar year,...

  11. Reply to "Comment on `Gamma-ray spectra from low-energy positron annihilation processes in molecules' "

    NASA Astrophysics Data System (ADS)

    Ma, Xiaoguang; Wang, Meishan; Zhu, Yinghao; Yang, Chuanlu

    2017-03-01

    In reply to the Comment of Green et al. [Phys. Rev. A 95, 036701 (2017)., 10.1103/PhysRevA.95.036701] on our paper [Phys. Rev. A 94, 052709 (2016), 10.1103/PhysRevA.94.052709], we reconfirm that all the conclusions are based on the observation and the comparisons of the theoretical and experimental data. One criticism of Green et al. [Phys. Rev. A 95, 036701 (2017)., 10.1103/PhysRevA.95.036701] concerns the positrophilic electrons and the inner valence electrons. The inner valence electrons or positrophilic electrons show most agreeable widths with the corresponding experimental measurements due to their narrowest momentum distributions for all 59 molecules. However, we agree with the criticism of Green et al. [Phys. Rev. A 95, 036701 (2017)., 10.1103/PhysRevA.95.036701] and reconfirm that this agreement does not represent the dominance of the inner valence in the annihilation process. In this Reply, we will clarify the difference between agreement and dominance and illustrate with some figures. Another criticism is about the approximation used in our paper. We emphasize that the averaged discrepancy of 34.2% for these molecules of the theoretical γ -ray spectra from the experimental measurements is due to the neglect of the positron-electron correlations, vibrational couplings, virtual-state formation, even tunneling of core electrons not the neglect of the positron wave function. In this Reply, we will show, even in this zero-order approximation, these positron-induced effects in the electron-positron annihilation process of molecules can also be analyzed with more corrections and explanations.

  12. Semiannual Report to Congress on the Effectiveness of the Civil Aviation Security Program.

    DTIC Science & Technology

    1984-04-13

    AD-fl143 023 SEMIANNUAL REPORT TO CONGRESS ON THEUEFFECTIVENESS OF i/i THE CIVIL AVIATION SECURITY PROGRAM(U) FEDERAL AVIATION ADMINISTRATION...Semiannual Report to O Congress on the US Deportmnent of TrasEffectiveness ofi of TransportationFedewl Avkffim Avao The Civil Aviation - Security Program... Aviation Security Program 8. Performing OrgniaetioNi RePwt Us. Aviation Security Division 9. Performing Organistion Name and Address 10. Work Unit No

  13. Effects of water molecules on tribological behavior and property measurements in nano-indentation processes - a numerical analysis

    PubMed Central

    2013-01-01

    Nano/micro-manufacturing under wet condition is an important consideration for various tool-based processes such as indentation, scratching, and machining. The existence of liquids adds complexity to the system, changes the tool/work interfacial condition, and affects material behaviors. For indentation, it may also affect material property measurements. However, little effort has been made to study this challenging issue at nano- or atomistic scale. In this study, we tackle this challenge by investigating nano-indentation processes submerged in water using the molecular dynamics (MD) simulation approach. Compared with dry indentation in which no water molecules are present, the existence of water molecules causes the increase of indentation force in initial penetration, but the decrease of indentation force in full penetration. It also reduces the sticking phenomenon between the work and tool atoms during indenter retraction, such that the indentation geometry can be better retained. Meanwhile, nano-indentation under wet condition exhibits the indentation size effect, while dry nano-indentation exhibits the reverse indentation size effect. The existence of water leads to higher computed hardness values at low indentation loads and a smaller value of Young's modulus. In addition, the friction along the tool/work interface is significantly reduced under wet indentation. PMID:24044504

  14. Effects of water molecules on tribological behavior and property measurements in nano-indentation processes - a numerical analysis.

    PubMed

    Wang, Yachao; Shi, Jing

    2013-09-17

    Nano/micro-manufacturing under wet condition is an important consideration for various tool-based processes such as indentation, scratching, and machining. The existence of liquids adds complexity to the system, changes the tool/work interfacial condition, and affects material behaviors. For indentation, it may also affect material property measurements. However, little effort has been made to study this challenging issue at nano- or atomistic scale. In this study, we tackle this challenge by investigating nano-indentation processes submerged in water using the molecular dynamics (MD) simulation approach. Compared with dry indentation in which no water molecules are present, the existence of water molecules causes the increase of indentation force in initial penetration, but the decrease of indentation force in full penetration. It also reduces the sticking phenomenon between the work and tool atoms during indenter retraction, such that the indentation geometry can be better retained. Meanwhile, nano-indentation under wet condition exhibits the indentation size effect, while dry nano-indentation exhibits the reverse indentation size effect. The existence of water leads to higher computed hardness values at low indentation loads and a smaller value of Young's modulus. In addition, the friction along the tool/work interface is significantly reduced under wet indentation.

  15. A bioactive molecule in a complex wound healing process: platelet-derived growth factor.

    PubMed

    Kaltalioglu, Kaan; Coskun-Cevher, Sule

    2015-08-01

    Wound healing is considered to be particularly important after surgical procedures, and the most important wounds related to surgical procedures are incisional, excisional, and punch wounds. Research is ongoing to identify methods to heal non-closed wounds or to accelerate wound healing; however, wound healing is a complex process that includes many biological and physiological events, and it is affected by various local and systemic factors, including diabetes mellitus, infection, ischemia, and aging. Different cell types (such as platelets, macrophages, and neutrophils) release growth factors during the healing process, and platelet-derived growth factor is a particularly important mediator in most stages of wound healing. This review explores the relationship between platelet-derived growth factor and wound healing. © 2014 The International Society of Dermatology.

  16. A comprehensive glossary of autophagy-related molecules and processes (2nd edition).

    PubMed

    Klionsky, Daniel J; Baehrecke, Eric H; Brumell, John H; Chu, Charleen T; Codogno, Patrice; Cuervo, Ana Marie; Debnath, Jayanta; Deretic, Vojo; Elazar, Zvulun; Eskelinen, Eeva-Liisa; Finkbeiner, Steven; Fueyo-Margareto, Juan; Gewirtz, David; Jäättelä, Marja; Kroemer, Guido; Levine, Beth; Melia, Thomas J; Mizushima, Noboru; Rubinsztein, David C; Simonsen, Anne; Thorburn, Andrew; Thumm, Michael; Tooze, Sharon A

    2011-11-01

    The study of autophagy is rapidly expanding, and our knowledge of the molecular mechanism and its connections to a wide range of physiological processes has increased substantially in the past decade. The vocabulary associated with autophagy has grown concomitantly. In fact, it is difficult for readers--even those who work in the field--to keep up with the ever-expanding terminology associated with the various autophagy-related processes. Accordingly, we have developed a comprehensive glossary of autophagy-related terms that is meant to provide a quick reference for researchers who need a brief reminder of the regulatory effects of transcription factors and chemical agents that induce or inhibit autophagy, the function of the autophagy-related proteins, and the roles of accessory components and structures that are associated with autophagy.

  17. [Computer simulation of the transcription process in the discrete model of DNA molecule].

    PubMed

    Zakir'ianov, F K; Khamzin, S R

    2011-01-01

    A mathematical model of the nonlinear dynamics of DNA has been considered, which takes into account the real sequence of the nitrous base. Soliton solutions describing the nonlinear mechanisms of the regulation of DNA transcription have been obtained. It has been shown that the soliton-like excitation may both fade in the terminator of the first gene and pass into the promotor of the second gene. Thus, transcription processes in one gene and two consecutive genes are modeled.

  18. High-Resolution Spectroscopy and Dynamics of Multiphoton Processes in Atoms and Molecules.

    DTIC Science & Technology

    1985-06-13

    perform photoion-photoelectron coincidence studies using a resonance lamp , is presently operated Independently of the photoelectron spectrometer. The mass...photoionization of excited states of atomic carbon. Atomic carbon in both the 3 p ground state and the 1D excited state was prepared by UV multiphoton...34 Gordon Conference on UV /Visible Multiphoton Ionization and Dissociation Processes, 12-16 July 1982 (no abstract available). 5. P. M. Dehmer, "VUV

  19. A small-molecule acts as a 'roadblock' on DNA, hampering its fundamental processes.

    PubMed

    Kumar, Amit

    2017-09-06

    DNA replication, RNA and protein synthesis are the most fundamental housekeeping processes involved in an organism's growth. Failure or dysregulation of these pathways are often deleterious to life. Therefore, selective inhibition of such processes can be crucial for the inhibition of the growth of any cell, including cancer cells, pathogenic bacteria or other deadly microbes. In the present study, a Zn(2+) complex is shown to act as a roadblock of DNA. The Zn(2+) complex inhibited DNA taq polymerase activity under the in vitro conditions of polymerase chain reaction (PCR). Under in vivo conditions, it readily crosses the cell wall of gram-negative bacteria (Escherichia coli), leading to the reduction of RNA levels as well as protein content. Growth of pathogenic bacteria (e.g., Staphylococcus aureus and Pseudomonas aeruginosa) was also significantly retarded. The Zn(2+) complex binds to the grooves of the DNA without inducing conformational changes or exhibiting chemical nuclease activity. To the best current knowledge, this is first coordination complex exhibiting a 'roadblock' property under both in vitro and in vivo conditions (show at all three levels - DNA, RNA and protein). The label-free approach used in this study may offer an alternative route towards fighting pathogenic bacteria or cancer cells by hampering fundamental cellular processes. Copyright © 2017 Elsevier Inc. All rights reserved.

  20. Solution-processable phosphorescence based on iridium-cored small molecules with the trifluoromethyl group

    NASA Astrophysics Data System (ADS)

    Zhang, Wenguan; He, Zhiqun; Wang, Yongsheng; Zhao, Shengmin

    2015-04-01

    A novel cyclometallated ligand 2-(4-(2‧-ethylhexyloxy)phenyl)-5-trifluoromethyl-pyridine (EHO-5CF3-ppy) was synthesized, and two solution-processable iridium complexes bis[2-(4-(2‧-ethylhexyloxy)phenyl)-5-trifluoromethylpyridinto-C3, N] iridium (acetylacetonate) (EHO-5CF3-ppy)2Ir(acac) (5) and bis[2-(4-(2‧-ethylhexyl-oxy)phenyl)-5-trifluoromethylpyridinto-C3, N] iridium (2-picolinic acid) (EHO-5CF3-ppy)2Ir(pic) (6) were afforded. Trifluoromethyl and dendritic ethylhexyloxy group were incorporated into iridium ligands to tune luminescent color, to reduce luminescence quenching and to improve the solution-processable property. Photoluminescent spectra of 5 and 6 in tetrahydrofuran peaked at around 540 and 523 nm. Electrophosphorescent devices were fabricated using 5 and 6 as dopant emitters (2%), which exhibited electroluminescent (EL) peaks at 536 and 524 nm, and current efficiencies of 10.4 and 16.7 cd/A, respectively. With the concentration of iridium complexes increasing to 8%, the main EL peak showed a 4 nm of red shift and a distinct shoulder peak occurred at 583 nm for 5 or 560 nm for 6, respectively. Maximum external quantum efficiencies of the devices at the concentration of 2% and 8% were 2.8% and 4.2% for 5, 4.7% and 4.8% for 6. These indicated that 5 and 6 were efficient solution-processable emitters.

  1. Coupled diffusion processes and 2D affinities of adhesion molecules at synthetic membrane junctions

    NASA Astrophysics Data System (ADS)

    Peel, Christopher; Choudhuri, Kaushik; Schmid, Eva M.; Bakalar, Matthew H.; Ann, Hyoung Sook; Fletcher, Daniel A.; Journot, Celine; Turberfield, Andrew; Wallace, Mark; Dustin, Michael

    A more complete understanding of the physically intrinsic mechanisms underlying protein mobility at cellular interfaces will provide additional insights into processes driving adhesion and organization in signalling junctions such as the immunological synapse. We observed diffusional slowing of structurally diverse binding proteins at synthetic interfaces formed by giant unilamellar vesicles (GUVs) on supported lipid bilayers (SLBs) that shows size dependence not accounted for by existing models. To model the effects of size and intermembrane spacing on interfacial reaction-diffusion processes, we describe a multistate diffusion model incorporating entropic effects of constrained binding. This can be merged with hydrodynamic theories of receptor-ligand diffusion and coupling to thermal membrane roughness. A novel synthetic membrane adhesion assay based on reversible and irreversible DNA-mediated interactions between GUVs and SLBs is used to precisely vary length, affinity, and flexibility, and also provides a platform to examine these effects on the dynamics of processes such as size-based segregation of binding and non-binding species.

  2. Single molecule manipulation at low temperature and laser scanning tunnelling photo-induced processes analysis through time-resolved studies.

    PubMed

    Riedel, Damien

    2010-07-07

    This paper describes, firstly, the statistical analysis used to determine the processes that occur during the manipulation of a single molecule through electronically induced excitations with a low temperature (5 K) scanning tunnelling microscope (STM). Various molecular operation examples are described and the ability to probe the ensuing molecular manipulation dynamics is discussed within the excitation context. It is, in particular, shown that such studies can reveal reversible manipulation for tuning dynamics through variation of the excitation energy. Secondly, the photo-induced process arising from the irradiation of the STM junction is also studied through feedback loop dynamics analysis, allowing us to distinguish between photo-thermally and photo-electronically induced signals. © 2010 IOP Publishing Ltd

  3. A single-molecule magnet featuring a parallelogram [Dy4(OCH2-)4] core and two magnetic relaxation processes.

    PubMed

    Liu, Cai-Ming; Zhang, De-Qing; Zhu, Dao-Ben

    2013-10-01

    An alkoxido-bridged tetranuclear Dy(iii) complex, [Dy4(H3L)2(OAc)6]·2EtOH {, H6L = 1,3-bis[tris(hydroxymethyl)methylamino]propane}, has been solvothermally synthesized and characterized. An X-ray crystallographic study revealed that complex possesses a novel "parallelogram" [Dy4(OCH2-)4] core, and a new binding mode η(3):η(3):η(1):η(1):η(1):η(2):μ(4) of the Bis-tris propane ligand was observed. Magnetic investigations indicated that it is a single-molecule magnet (SMM), showing two distinct magnetic relaxation processes with the energy barriers of 44 K and 107 K, respectively. Such a two-step magnetic relaxation process could be well described by the sum of two modified Debye functions.

  4. A model for the temperature and composition effects in the semiannual variations of the thermospheric density

    NASA Technical Reports Server (NTRS)

    Mayr, H. G.; Volland, H.

    1971-01-01

    A model is proposed in which latitudinal variations in composition and temperature are used to interpret the semiannual effect in the thermospheric density. Two heat sources are postulated for the semiannual circulation: one at high latitudes associated with the semiannual component in the occurance of magnetic storms and a second weaker one that peaks at the equator associated with the semiannual migration between both hemispheres. Depending on the relative magnitude of these sources, the latitude regions in which composition and temperature effects dominate vary. The temperature effects however should be expected weakest at low to mid latitudes where the relative concentration of atomic oxygen is enriched during equinox. At high latitudes the semiannual temperature component would peak, associated with an oxygen depletion in the lower thermosphere during equinox. In combining these features it is shown that the total atmospheric density could still exhibit a relatively small latitude dependence in the semiannual component with the tendency to decrease at high latitudes, in agreement with observations.

  5. Physics of Molecules

    NASA Astrophysics Data System (ADS)

    Williams, D.; Murdin, P.

    2000-11-01

    Many varieties of molecule have been detected in the Milky Way and in other galaxies. The processes by which these molecules are formed and destroyed are now broadly understood (see INTERSTELLAR CHEMISTRY). These molecules are important components of galaxies in two ways. Firstly, radiation emitted by molecules enables us to trace the presence of diffuse gas, to infer its physical properties and ...

  6. Semiannual progress report, April - September 1991

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Research conducted during the past year in the climate and modeling programs has concentrated on the development of appropriate atmospheric and upper ocean models, and preliminary applications of these models. Principal models are a one-dimensional radiative-convective model, a three dimensional global climate model, and an upper ocean model. Principal applications have been the study of the impact of CO2, aerosols, and the solar constant on climate. Progress was made in the 3-D model development towards physically realistic treatment of these processes. In particular, a map of soil classifications on 1 degree by 1 degree resolution has now been digitized, and soil properties have been assigned to each soil type. Using this information about soil properties, a method has been developed to simulate the hydraulic behavior of the soils of the world. This improved treatment of soil hydrology, together with the seasonally varying vegetation cover, will provide a more realistic study of the role of the terrestrial biota in climate change. A new version of the climate model was created which follows the isotopes of water and sources of water throughout the planet.

  7. Bitter-tasting and kokumi-enhancing molecules in thermally processed avocado (Persea americana Mill.).

    PubMed

    Degenhardt, Andreas Georg; Hofmann, Thomas

    2010-12-22

    Sequential application of solvent extraction and RP-HPLC in combination with taste dilution analyses (TDA) and comparative TDA, followed by LC-MS and 1D/2D NMR experiments, led to the discovery of 10 C(17)-C(21) oxylipins with 1,2,4-trihydroxy-, 1-acetoxy-2,4-dihydroxy-, and 1-acetoxy-2-hydroxy-4-oxo motifs, respectively, besides 1-O-stearoyl-glycerol and 1-O-linoleoyl-glycerol as bitter-tasting compounds in thermally processed avocado (Persea americana Mill.). On the basis of quantitative data, dose-over-threshold (DoT) factors, and taste re-engineering experiments, these phytochemicals, among which 1-acetoxy-2-hydroxy-4-oxo-octadeca-12-ene was found with the highest taste impact, were confirmed to be the key contributors to the bitter off-taste developed upon thermal processing of avocado. For the first time, those C(17)-C(21) oxylipins exhibiting a 1-acetoxy-2,4-dihydroxy- and a 1-acetoxy-2-hydroxy-4-oxo motif, respectively, were discovered to induce a mouthfulness (kokumi)-enhancing activity in sub-bitter threshold concentrations.

  8. All-Solution-Processed Organic Light-Emitting Diodes Based on Photostable Photo-cross-linkable Fluorescent Small Molecules.

    PubMed

    Derue, Lionel; Olivier, Simon; Tondelier, Denis; Maindron, Tony; Geffroy, Bernard; Ishow, Eléna

    2016-06-29

    We demonstrate herein the fabrication of small molecule-based OLEDs where four organic layers from the hole- to the electron-transporting layers have successively been deposited by using an all-solution process. The key feature of the device relies on a novel photopolymerizable red-emitting material, made of small fluorophores substituted with two acrylate units, and displaying high-quality film-forming properties as well as high emission quantum yield as nondoped thin films. Insoluble emissive layers were obtained upon UV irradiation using low illumination doses, with no further need of postcuring. Very low photodegradation was noticed, giving rise to bright layers with a remarkable surface quality, characterized by a mean RMS roughness as low as 0.7 nm after development. Comparative experiments between solution-processed OLEDs and vacuum-processed OLEDs made of fluorophores with close architectures show external quantum efficiencies in the same range while displaying distinct behaviors in terms of current and power efficiencies. They validate the proof of concept of nondoped solution-processable emissive layers exclusively made of photopolymerized fluorophores, thereby reducing the amount of components and opening the way toward cost-effective fabrication of solution-processed OLED multilayer architectures.

  9. Semiannual report to Congress, October 1, 1994--March 31, 1995

    SciTech Connect

    1995-04-01

    The Office of Inspector General Semiannual Report to the Congress covers the period October 1, 1994, through March 31, 1995. The report summarizes significant audit, inspection and investigative accomplishments for the reporting period, a large number of which facilitated Department management`s efforts to improve management controls and ensure efficient and effective operation. Narratives of the most significant reports are grouped by six primary performance measures: (1) Recommendations accepted by management, (2) Audit/inspection savings, recoveries, and funds identified for better use, (3) Legislative/regulatory compliance to recommendations, (4) Positive impacts on the Department after implementation of recommendations, (5) Complaints resolved, and (6) Investigation recoveries, fines, and funds identified for better use.

  10. Semiannually alternating exchange of intermediate waters east of the Philippines

    NASA Astrophysics Data System (ADS)

    Song, Lina

    2017-04-01

    Intermediate water exchange in the northwest tropical Pacific is explored with the temperature, salinity, and current measurements of a mooring system deployed at 8°N, 127.05°E during 2010-2014. For the first time, prominent semiannual variability (SAV; with the maximum power at 187 days) of subthermocline meridional flow along the Mindanao coast is revealed. A significant correlation between meridional flow and salinity is found at intermediate depths. This provides direct evidence for the alternating transports of South Pacific and North Pacific Intermediate Waters by northward and southward undercurrents, respectively. Further analysis with an eddy-resolving ocean general circulation model demonstrates that the SAV is generated locally near the western boundary, manifesting as large-scale subthermocline recirculation and leading to alternating northward and southward flows near the Mindanao coast, which plays an efficient role in the intermediate water exchange of the northwest tropical Pacific. Mechanisms underlying the observed SAV are discussed

  11. MODIS Science Team Member Semi-annual Report

    NASA Technical Reports Server (NTRS)

    Vermote, Eric; ElSaleous, Nazmi; Fisher, Paul; Karakos, Damianos; Ray, James; Vermeulen, Anne

    1998-01-01

    This paper presents a semi-annual report of the MODerate resolution imaging Spectroradiometer (MODIS) Science Team Members. The most important activities undertaken during this reporting period are the following: 1) Versions 2.1 and 2.2 surface reflectance L2/L3 DAAC/SDST delivery; 2) Version 2.0 1km and 250m VI product delivery (assist Arizona); 3) Version 2.1 surface reflectance L2 testing; 4) Land Synthetic data set generator improvements; 5) QA; 6) Surface reflectance error budget generation (SWAMP request); 7) SCF Hardware; 8) Aerosol transport modeling; 9) Aerosol optical depth retrieval from AVHRR data; 10) Aerosol characteristics retrieval from SeaWIFS/AVHRR fusioned data; 11) Validation activities; 12) Aerosol climatology; and 13) 6S code. The report includes summaries of the topics above.

  12. MODIS Science Team Member Semi-annual Report

    NASA Technical Reports Server (NTRS)

    Vermote, Eric; ElSaleous, Nazmi; Fisher, Paul; Karakos, Damianos; Ray, James; Vermeulen, Anne

    1998-01-01

    This paper presents a semi-annual report of the MODerate resolution imaging Spectroradiometer (MODIS) Science Team Members. The most important activities undertaken during this reporting period are the following: 1) Versions 2.1 and 2.2 surface reflectance L2/L3 DAAC/SDST delivery; 2) Version 2.0 1km and 250m VI product delivery (assist Arizona); 3) Version 2.1 surface reflectance L2 testing; 4) Land Synthetic data set generator improvements; 5) QA; 6) Surface reflectance error budget generation (SWAMP request); 7) SCF Hardware; 8) Aerosol transport modeling; 9) Aerosol optical depth retrieval from AVHRR data; 10) Aerosol characteristics retrieval from SeaWIFS/AVHRR fusioned data; 11) Validation activities; 12) Aerosol climatology; and 13) 6S code. The report includes summaries of the topics above.

  13. The Semiannual Oscillation of Southern Ocean Sea Level

    NASA Astrophysics Data System (ADS)

    Hibbert, A.

    2012-04-01

    The atmospheric Semiannual Oscillation (SAO) is a half-yearly wave in mean sea level air pressure, which exhibits equinoctial maxima between 45°S and 50°S and solstitial maxima between 55°S and 65°s, with a phase reversal occurring at around 60°S. Its existence has been attributed to a phase difference in the annual temperature cycle between mid- and high-latitudes which sets up meridional temperature and pressure gradients that are largest during September and March, enhancing atmospheric baroclinicity and inducing equinoctial maxima in the Southern Hemisphere Westerlies. In this study, we use harmonic analysis of atmospheric and oceanic Southern Ocean datasets to show that this atmospheric SAO induces oceanic counterparts in sea level and circumpolar transport. This aspect of atmosphere-ocean interaction is particularly important, given the capacity of the Antarctic Circumpolar Current (ACC) to influence regional climate through the exchange of heat, fresh water and nutrients to each of the major ocean basins. We examine the relative contributions of local and regional semiannual atmospheric fluctuations in explaining the observed sea level response at 20 Southern Ocean and South Atlantic tide gauge stations and find that the oceanic SAO is associated with a modulation of zonal surface wind strength at key latitudes between ~55°S and 65°S. We also explore whether a seasonal inequality in SAO amplitude might facilitate the deduction of the timescales upon which Southern Ocean 'eddy saturation' theory might operate. However, though we find evidence of biannual fluctuations in eddy kinetic energy, regional variations in the phases and amplitudes of these emergent harmonics prevent us from elucidating the possible timescales upon which an eddy response to the atmospheric SAO might arise.

  14. [Calculation of the amount of free water molecules in aqueous solutions by means of spectral parameters from the terahertz frequency domain taking into account processes of screening].

    PubMed

    Pen'kov, N V; Iashin, V A; Fesenko, E E; Fesenko, E E

    2014-01-01

    In this paper we derive a formula to calculate the amount of free water molecules in solution. Physical values in this formula may be obtained by analyzing the spectra of aqueous solutions in the terahertz frequency range. Formula is derived on the basis of considering water polarization process in electric field. It is shown that without processes of shielding the electric field in the water calculations lead to very high estimation of a share of free water molecule.

  15. Ultra-stable Molecule-Surface Architectures at Metal Oxides: Structure, Bonding, and Electron-transfer Processes

    SciTech Connect

    Hamers, Robert John

    2013-12-07

    Research funded by this project focused on the development of improved strategies for functionalization of metal oxides to enhance charge-transfer processes relevant to solar energy conversion. Initial studies included Fe2O3, WO3, TiO2, SnO2, and ZnO as model oxide systems; these systems were chosen due to differences in metal oxidation state and chemical bonding types in these oxides. Later studies focused largely on SnO2 and ZnO, as these materials show particularly promising surface chemistry, have high electron mobility, and can be readily grown in both spherical nanoparticles and as elongated nanorods. New molecules were synthesized that allowed the direct chemical assembly of novel nanoparticle ?dyadic? structures in which two different oxide materials are chemically joined, leading to an interface that enhances the separation of of charge upon illumination. We demonstrated that such junctions enhance photocatalytic efficiency using model organic compounds. A separate effort focused on novel approaches to linking dye molecules to SnO2 and ZnO as a way to enhance solar conversion efficiency. A novel type of surface binding through

  16. Field programmable chemistry: integrated chemical and electronic processing of informational molecules towards electronic chemical cells.

    PubMed

    Wagler, Patrick F; Tangen, Uwe; Maeke, Thomas; McCaskill, John S

    2012-07-01

    The topic addressed is that of combining self-constructing chemical systems with electronic computation to form unconventional embedded computation systems performing complex nano-scale chemical tasks autonomously. The hybrid route to complex programmable chemistry, and ultimately to artificial cells based on novel chemistry, requires a solution of the two-way massively parallel coupling problem between digital electronics and chemical systems. We present a chemical microprocessor technology and show how it can provide a generic programmable platform for complex molecular processing tasks in Field Programmable Chemistry, including steps towards the grand challenge of constructing the first electronic chemical cells. Field programmable chemistry employs a massively parallel field of electrodes, under the control of latched voltages, which are used to modulate chemical activity. We implement such a field programmable chemistry which links to chemistry in rather generic, two-phase microfluidic channel networks that are separated into weakly coupled domains. Electric fields, produced by the high-density array of electrodes embedded in the channel floors, are used to control the transport of chemicals across the hydrodynamic barriers separating domains. In the absence of electric fields, separate microfluidic domains are essentially independent with only slow diffusional interchange of chemicals. Electronic chemical cells, based on chemical microprocessors, exploit a spatially resolved sandwich structure in which the electronic and chemical systems are locally coupled through homogeneous fine-grained actuation and sensor networks and play symmetric and complementary roles. We describe how these systems are fabricated, experimentally test their basic functionality, simulate their potential (e.g. for feed forward digital electrophoretic (FFDE) separation) and outline the application to building electronic chemical cells. Copyright © 2012 Elsevier Ireland Ltd. All rights

  17. Solution-Processed Small-Molecule Bulk Heterojunctions: Leakage Currents and the Dewetting Issue for Inverted Solar Cells.

    PubMed

    Destouesse, Elodie; Chambon, Sylvain; Courtel, Stéphanie; Hirsch, Lionel; Wantz, Guillaume

    2015-11-11

    In organic photovoltaic (PV) devices based on solution-processed small molecules, we report here that the physicochemical properties of the substrate are critical for achieving high-performances organic solar cells. Three different substrates were tested: ITO coated with PSS, ZnO sol-gel, and ZnO nanoparticles. PV performances are found to be low when the ZnO nanoparticles layer is used. This performance loss is attributed to the formation of many dewetting points in the active layer, because of a relatively high roughness of the ZnO nanoparticles layer, compared to the other layers. We successfully circumvented this phenomenon by adding a small quantity of polystyrene (PS) in the active layer. The introduction of PS improves the quality of film forming and reduces the dark currents of solar cells. Using this method, high-efficiency devices were achieved, even in the case of substrates with higher roughness.

  18. CO2 annual and semiannual cycles from multiple satellite retrievals and models

    NASA Astrophysics Data System (ADS)

    Jiang, Xun; Crisp, David; Olsen, Edward T.; Kulawik, Susan S.; Miller, Charles E.; Pagano, Thomas S.; Liang, Maochang; Yung, Yuk L.

    2016-02-01

    Satellite CO2 retrievals from the Greenhouse gases Observing SATellite (GOSAT), Atmospheric Infrared Sounder (AIRS), and Tropospheric Emission Spectrometer (TES) and in situ measurements from the National Oceanic and Atmospheric Administration - Earth System Research Laboratory (NOAA-ESRL) Surface CO2 and Total Carbon Column Observing Network (TCCON) are utilized to explore the CO2 variability at different altitudes. A multiple regression method is used to calculate the CO2 annual cycle and semiannual cycle amplitudes from different data sets. The CO2 annual cycle and semiannual cycle amplitudes for GOSAT XCO2 and TCCON XCO2 are consistent but smaller than those seen in the NOAA-ESRL surface data. The CO2 annual and semiannual cycles are smallest in the AIRS midtropospheric CO2 compared with other data sets in the Northern Hemisphere. The amplitudes for the CO2 annual cycle and semiannual cycle from GOSAT, TES, and AIRS CO2 are small and comparable to each other in the Southern Hemisphere. Similar regression analysis is applied to the Model for OZone And Related chemical Tracers-2 and CarbonTracker model CO2. The convolved model CO2 annual cycle and semiannual cycle amplitudes are similar to those from the satellite CO2 retrievals, although the models tend to underestimate the CO2 seasonal cycle amplitudes in the Northern Hemisphere midlatitudes and underestimate the CO2 semiannual cycle amplitudes in the high latitudes. These results can be used to better understand the vertical structures for the CO2 annual cycle and semiannual cycle and help identify deficiencies in the models, which are very important for the carbon budget study.

  19. Quality by design in formulation and process development for a freeze-dried, small molecule parenteral product: a case study.

    PubMed

    Mockus, Linas N; Paul, Timothy W; Pease, Nathan A; Harper, Nancy J; Basu, Prabir K; Oslos, Elizabeth A; Sacha, Gregory A; Kuu, Wei Y; Hardwick, Lisa M; Karty, Jacquelyn J; Pikal, Michael J; Hee, Eun; Khan, Mansoor A; Nail, Steven L

    2011-01-01

    A case study has been developed to illustrate one way of incorporating a Quality by Design approach into formulation and process development for a small molecule, freeze-dried parenteral product. Sodium ethacrynate was chosen as the model compound. Principal degradation products of sodium ethacrynate result from hydrolysis of the unsaturated ketone in aqueous solution, and dimer formation from a Diels-Alder condensation in the freeze-dried solid state. When the drug crystallizes in a frozen solution, the eutectic melting temperature is above -5°C. Crystallization in the frozen system is affected by pH in the range of pH 6-8 and buffer concentration in the range of 5-50 mM, where higher pH and lower buffer concentration favor crystallization. Physical state of the drug is critical to solid state stability, given the relative instability of amorphous drug. Stability was shown to vary considerably over the ranges of pH and buffer concentration examined, and vial-to-vial variability in degree of crystallinity is a potential concern. The formulation design space was constructed in terms of pH and drug concentration, and assuming a constant 5 mM concentration of buffer. The process design space is constructed to take into account limitations on the process imposed by the product and by equipment capability.

  20. Four Mile Creek semi-annual sampling report, January 1993 sampling event

    SciTech Connect

    Not Available

    1993-05-01

    From 1955 to 1988 low-level radioactive wastewater generated by chemical separation processes within the General Separations Area (GSA) was discharged to seepage basins in the F and H Areas of the Savannah River Site (SRS). These basins were designed to permit the infiltration of the process wastewaters. As wastewater percolated downward through the basins, chemical and radioactive constituents were retained or sequestered in the subsoils. An extensive study aimed at characterizing the groundwater seeping into Four Mile Creek and its associated seepline was conducted in 1988 and 1989 (Haselow et al. 1990). Results of this study suggested that contaminants leaching from the F and H Area seepage basins were impacting the Four Mile Creek wetland system. The seepage basins were closed in 1988 and capped and sealed in 1990. This effectively eliminated the source of the contaminants and the hydraulic head driving the migration of contaminants from the basins. It has been hypothesized that, after the elimination of the source and head, annual rainfall amounts would be sufficient to dilute and flush out contaminants remaining in the subsoils and groundwaters beneath the basins. Westinghouse Savannah River Company has designed a semi-annual sampling and analytical program for the Four Mile Creek (FMC) seepline and stream water to test the hypothesis. This report summarizes field monitoring activities from January 25, 1993 to February 4, 1993.

  1. Isotope Separation and Advanced Manufacturing Technology. ISAM semiannual report, Volume 3, Number 1, October 1993--March 1994

    SciTech Connect

    Carpenter, J.; Kan, T.

    1994-10-01

    This is the fourth issue of a semiannual report for the Isotope Separation and Advanced Materials Manufacturing (ISAM) Technology Program at Lawrence Livermore National Laboratory. Primary objectives include: (I) the Uranium Atomic Vapor Laser Isotope Separation (UAVLIS) process, which is being developed and prepared for deployment as an advanced uranium enrichment capability; (II) Advanced manufacturing technologies, which include industrial laser and E-beam material processing and new manufacturing technologies for uranium, plutonium, and other strategically important materials in support of DOE and other national applications. This report features progress in the ISAM Program from October 1993 through March 1994. Selected papers were indexed separately for inclusion in the Energy Science and Technology Database.

  2. 78 FR 59047 - 30-Day Notice of Proposed Information Collection: Semi-Annual Labor Standards Enforcement Report...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-09-25

    ... Title of Information Collection: Semi-annual Labor Standards Enforcement Report--Local Contracting... URBAN DEVELOPMENT 30-Day Notice of Proposed Information Collection: Semi-Annual Labor Standards Enforcement Report--Local Contracting Agencies (HUD Programs) AGENCY: Office of the Chief Information...

  3. 17 CFR 274.101 - Form N-SAR, semi-annual report of registered investment companies.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 17 Commodity and Securities Exchanges 3 2012-04-01 2012-04-01 false Form N-SAR, semi-annual report... Forms for Reports § 274.101 Form N-SAR, semi-annual report of registered investment companies. This form... citations affecting Form N-SAR, see the List of CFR Sections Affected, which appears in the Finding Aids...

  4. 17 CFR 274.101 - Form N-SAR, semi-annual report of registered investment companies.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 17 Commodity and Securities Exchanges 4 2014-04-01 2014-04-01 false Form N-SAR, semi-annual report... Forms for Reports § 274.101 Form N-SAR, semi-annual report of registered investment companies. This form... citations affecting Form N-SAR, see the List of CFR Sections Affected, which appears in the Finding Aids...

  5. 17 CFR 274.101 - Form N-SAR, semi-annual report of registered investment companies.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 17 Commodity and Securities Exchanges 3 2013-04-01 2013-04-01 false Form N-SAR, semi-annual report... Forms for Reports § 274.101 Form N-SAR, semi-annual report of registered investment companies. This form... citations affecting Form N-SAR, see the List of CFR Sections Affected, which appears in the Finding Aids...

  6. 17 CFR 274.101 - Form N-SAR, semi-annual report of registered investment companies.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 17 Commodity and Securities Exchanges 3 2010-04-01 2010-04-01 false Form N-SAR, semi-annual report... Forms for Reports § 274.101 Form N-SAR, semi-annual report of registered investment companies. This form... citations affecting Form N-SAR, see the List of CFR Sections Affected, which appears in the Finding Aids...

  7. Isoindigo-Based Small Molecules with Varied Donor Components for Solution-Processable Organic Field Effect Transistor Devices.

    PubMed

    Patil, Hemlata; Chang, Jingjing; Gupta, Akhil; Bilic, Ante; Wu, Jishan; Sonar, Prashant; Bhosale, Sheshanath V

    2015-09-18

    Two solution-processable small organic molecules, (E)-6,6'-bis(4-(diphenylamino)phenyl)-1,1'-bis(2-ethylhexyl)-(3,3'-biindolinylidene)-2,2'-dione (coded as S10) and (E)-6,6'-di(9H-carbazol-9-yl)-1,1'-bis(2-ethylhexyl)-(3,3'-biindolinylidene)-2,2'-dione (coded as S11) were successfully designed, synthesized and fully characterized. S10 and S11 are based on a donor-acceptor-donor structural motif and contain a common electron accepting moiety, isoindigo, along with different electron donating functionalities, triphenylamine and carbazole, respectively. Ultraviolet-visible absorption spectra revealed that the use of triphenylamine donor functionality resulted in an enhanced intramolecular charge transfer transition and reduction of optical band gap, when compared with its carbazole analogue. Both of these materials were designed to be donor semiconducting components, exerted excellent solubility in common organic solvents, showed excellent thermal stability, and their promising optoelectronic properties encouraged us to scrutinize charge-carrier mobilities using solution-processable organic field effect transistors. Hole mobilities of the order of 2.2 × 10(-4) cm²/Vs and 7.8 × 10(-3) cm²/Vs were measured using S10 and S11 as active materials, respectively.

  8. Near-infrared spectroscopic monitoring of the diffusion process of deuterium-labeled molecules in wood. Part II: hardwood.

    PubMed

    Tsuchikawa, Satoru; Siesler, H W

    2003-06-01

    Fourier transform near-infrared (FT-NIR) transmission spectroscopy was applied to monitor the diffusion process of deuterium-labeled molecules in hardwood (Beech). The results are compared with previous data obtained on softwood (Sitka spruce) in order to consistently understand the state of order in cellulose of wood. The saturation accessibility and diffusion rate varied characteristically with the OH groups in different states of order in the wood substance, the diffusants, and the wood species, respectively. The variation of saturation accessibility should be associated with the fundamental difference of the fine structure such as the microfibrils in the wood substance. The effect of the anatomical cellular structure on the accessibility was reflected in the variation of the diffusion rate with the wood species. The size effect of the diffusants also played an important role for the diffusion process in wood. Since the volumetric percentage of wood fibers and wood rays is relatively similar, the dichroic effects due to the anisotropy of the cellulose chains were apparently diminished. Finally, we proposed a new interpretation of the fine structure of the microfibrils in the cell wall by comparing a series of results from hardwood and softwood. Each elementary fibril in the hardwood has a more homogeneous arrangement in the microfibrils compared to that in the softwood.

  9. Highly efficient, solution processed electrofluorescent small molecule white organic light-emitting diodes with a hybrid electron injection layer.

    PubMed

    Jiang, Zhixiong; Zhong, Zhiming; Xue, Shanfeng; Zhou, Yan; Meng, Yanhong; Hu, Zhanhao; Ai, Na; Wang, Jianbin; Wang, Lei; Peng, Junbiao; Ma, Yuguang; Pei, Jian; Wang, Jian; Cao, Yong

    2014-06-11

    Highly efficient, solution-processed, and all fluorescent white organic light-emitting diodes (WOLEDs) based on fluorescent small molecules have been achieved by incorporating a low-conductivity hole injection layer and an inorganic-organic hybrid electron injection layer. The light-emission layer is created by doping a fluorescent π-conjugated blue dendrimer host (the zeroth generation dendrimer, G0) with a yellow-emitting fluorescent dopant oligo(paraphenylenevinylene) derivative CN-DPASDB with a doping ratio of 100:0.15 (G0:CN-DPASDB) by weight. To suppress excessive holes, the high-conductivity hole injection layer (PEDOT:PSS AI 4083) is replaced by the low-conductivity PEDOT:PSS CH 8000. To facilitate the electron injection, a hybrid electron injection layer is introduced by doping a methanol/water-soluble conjugated polymer poly[(9,9-bis(30-(N,N-dimethylamino)propyl)-2,7-fluorene)-alt-2,7-(9,9-dioctylfluorene)] (PFNR2) with solution-processed cesium fluoride (CsF). The device achieves a maximum luminous efficiency of 17.0 cd A(-1) and a peak power efficiency of 15.6 lm W(-1) at (0.32, 0.37) with a color rendering index of 64.

  10. Processing of the Synaptic Cell Adhesion Molecule Neurexin-3β by Alzheimer Disease α- and γ-Secretases*

    PubMed Central

    Bot, Nathalie; Schweizer, Claude; Ben Halima, Saoussen; Fraering, Patrick C.

    2011-01-01

    Neurexins (NRXNs) are synaptic cell adhesion molecules having essential roles in the assembly and maturation of synapses into fully functional units. Immunocytochemical and electrophysiological studies have shown that specific binding across the synaptic cleft of the ectodomains of presynaptic NRXNs and postsynaptic neuroligins have the potential to bidirectionally coordinate and trigger synapse formation. Moreover, in vivo studies as well as genome-wide association studies pointed out implication of NRXNs in the pathogenesis of cognitive disorders including autism spectrum disorders and different types of addictions including opioid and alcohol dependences, suggesting an important role in synaptic function. Despite extensive investigations, the mechanisms by which NRXNs modulate the properties of synapses remain largely unknown. We report here that α- and γ-secretases can sequentially process NRXN3β, leading to the formation of two final products, an ∼80-kDa N-terminal extracellular domain of Neurexin-3β (sNRXN3β) and an ∼12-kDa C-terminal intracellular NRXN3β domain (NRXN3β-ICD), both of them being potentially implicated in the regulation of NRXNs and neuroligins functions at the synapses or in yet unidentified signal transduction pathways. We further report that this processing is altered by several PS1 mutations in the catalytic subunit of the γ-secretase that cause early-onset familial Alzheimer disease. PMID:21084300

  11. Random walk of processive, quantum dot-labeled myosin Va molecules within the actin cortex of COS-7 cells.

    PubMed

    Nelson, Shane R; Ali, M Yusuf; Trybus, Kathleen M; Warshaw, David M

    2009-07-22

    Myosin Va (myoVa) is an actin-based intracellular cargo transporter. In vitro experiments have established that a single myoVa moves processively along actin tracks, but less is known about how this motor operates within cells. Here we track the movement of a quantum dot (Qdot)-labeled myoVa HMM in COS-7 cells using total internal reflectance fluorescence microscopy. This labeling approach is unique in that it allows myoVa, instead of its cargo, to be tracked. Single-particle analysis showed short periods (molecules attached to the Qdot. With high time (16.6 ms) and spatial (15 nm) resolution imaging, Qdot-labeled myoVa moved with sequential 75 nm steps per head, at a rate of 16 s(-1), similarly to myoVa in vitro. Monte Carlo modeling suggests that the random nature of the trajectories represents processive myoVa motors undergoing a random walk through the dense and randomly oriented cortical actin network.

  12. Random Walk of Processive, Quantum Dot-Labeled Myosin Va Molecules within the Actin Cortex of COS-7 Cells

    PubMed Central

    Nelson, Shane R.; Ali, M. Yusuf; Trybus, Kathleen M.; Warshaw, David M.

    2009-01-01

    Abstract Myosin Va (myoVa) is an actin-based intracellular cargo transporter. In vitro experiments have established that a single myoVa moves processively along actin tracks, but less is known about how this motor operates within cells. Here we track the movement of a quantum dot (Qdot)-labeled myoVa HMM in COS-7 cells using total internal reflectance fluorescence microscopy. This labeling approach is unique in that it allows myoVa, instead of its cargo, to be tracked. Single-particle analysis showed short periods (≤0.5 s) of ATP-sensitive linear motion. The mean velocity of these trajectories was 604 nm/s and independent of the number of myoVa molecules attached to the Qdot. With high time (16.6 ms) and spatial (15 nm) resolution imaging, Qdot-labeled myoVa moved with sequential 75 nm steps per head, at a rate of 16 s−1, similarly to myoVa in vitro. Monte Carlo modeling suggests that the random nature of the trajectories represents processive myoVa motors undergoing a random walk through the dense and randomly oriented cortical actin network. PMID:19619465

  13. Electron-rich anthracene semiconductors containing triarylamine for solution-processed small-molecule organic solar cells.

    PubMed

    Choi, Hyeju; Ko, Haye Min; Cho, Nara; Song, Kihyung; Lee, Jae Kwan; Ko, Jaejung

    2012-10-01

    New electron-rich anthracene derivatives containing triarylamine hole stabilizers, 2,6-bis[5,5'-bis(N,N'-diphenylaniline)-2,2'-bithiophen-5-yl]-9,10-bis-[(triisopropylsilyl)ethynyl]anthracene (TIPSAntBT-TPA) and 2,6-bis(5,5'-bis{4-[bis(9,9-dimethyl-9H-fluoren-2-yl)amino]phenyl}-2,2'-bithiophen-5-yl)-9,10-bis-[(triisopropylsilyl)ethynyl]anthracene (TIPSAntBT-bisDMFA), linked with π-conjugated bithiophene bridges, were synthesized and their photovoltaic characteristics were investigated in solution-processed small-molecule organic solar cells (SMOSCs). These new materials exhibited superior intramolecular charge transfer from triarylamine to anthracene, leading to a more electron-rich anthracene core that facilitated electron transfer into phenyl-C(61)-butyric acid methyl ester. Compared with TIPSAntBT and triarylamine, these materials show a threefold improvement in hole-transporting properties and better photovoltaic performance in solution-processed SMOSCs, with the best power conversion efficiency being 2.96 % at a high open-circuit voltage of 0.85 V. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Surface Gasification Materials Program. Semiannual progress report for the period ending March 31, 1985

    SciTech Connect

    Bradley, R.A.

    1985-06-01

    The objective of the Surface Gasification Materials Program is to conduct research and development on materials for application to the specific needs of coal gasification systems. One of the goals of the program is to evaluate innovative fabrication methods which have the potential to lower costs and improve reliability and safety for gasifier vessels and components. Another goal is to conduct engineering-scale development and application of materials for coal gasification systems to ensure that the materials of construction for pilot plants and future large-scale plants can be properly selected and specified. Contents of this semiannual progress report include: (1) corrosion studies of plant materials surveillance tests; (2) slagging gasifier refractories - application/evaluation; (3) protective coatings and claddings - application/evaluation; (4) corrosion of structural ceramics in coal gasification environments; (5) advanced pressure vessel materials technology; (6) electroslag component casting; (7) production and evaluation of electroslag castings; (8) cost reduction of electroslag casting manufacturing process; and (9) quantitative microstructural characterization of steel casting.

  15. Federal Energy Resources Modernization Coordinating Committee; Semiannual report, April 1, 1992--September 30, 1992

    SciTech Connect

    Parker, G. B.

    1993-04-01

    This report summarizes the broad range of activities that are focused on meeting the President's Executive Order on Federal Energy Management promulgated to meet energy savings goals and encourage more efficient management of all federal energy resources. These activities are reported semiannually under the auspices of the Federal Energy Resource Modernization (FERM) Coordinating Committee, and as such include activities undertaken from April 1, 1992, through September 30, 1992. The activities reported are classified into four major categories: (1) technology-base support, which includes development of processes, software, metering and monitoring equipment and strategies, and other tools for federal energy managers to better understand and characterize their energy resources; (2) federal energy systems testing and monitoring; (3) federal energy systems revitalization projects at federal installations in cooperation with the utilities serving the sites; and (4) energy supply, distribution and end-use conservation assessment for federal agencies and/or facilities. Lighting systems and air conditioning projects at federal facilities, especially military bases are updated.

  16. Semi-annual technical report, September 30, 1999 - March 31, 2000

    SciTech Connect

    Schumacher, Dorin

    2000-04-01

    The Consortium for Plant Biotechnology Research, Inc. (CPBR) continues to operate according to objectives outlined in the proposal funded through the cooperative agreement. The italicized objectives below are addressed in this report, which covers the period September 30,1999 through March 31, 2000. (1) Update the research agenda using information obtained from member companies. (2) Identify and implement research projects that are deemed by industrial, scientific, and sponsoring agency evaluation to address significantly the problems and future of U.S. energy resources and that are relevant to the Department of Energy's mission. Specifically: (1) Announce research grants competition through a Request for Preproposals. (2) Conduct a dual-stage review process: Stage one--industrial and DOE review of preproposals; and Stage two--peer review, scientific consultants' review, DOE review of full proposals and Project Recommendation Committee evaluation and recommendation for funding. (3) Board of Directors approval of recommended awards. (4) Conduct ongoing project management. (5) Obtain semiannual, annual and final reports for evaluation of research goals and technology transfer. (6) Present reports to DOE.

  17. Advanced Researech and Technology Development fossil energy materials program: Semiannual progress report for the period ending September 30, 1988

    SciTech Connect

    Not Available

    1989-01-01

    The objective of the ARandTD Fossil Energy Materials Program is to conduct research and development on materials for fossil energy applications with a focus on the longer-term and generic needs of the various fossil fuel technologies. The program includes research aimed toward a better understanding of materials behavior in fossil energy environments and the development of new materials capable of substantial enhancement of plant operations and reliability. The ORNL Fossil Energy Materials Program Office compiles and issues this combined semiannual progress report from camera-ready copies submitted by each of the participating subcontractor organizations. This report of activities on the program is organized in accordance with a work breakdown structure in which projects are organized according to materials research thrust areas. These areas are (1) Structural Ceramics, (2) Alloy Development and Mechanical Properties, (3) Corrosion and Erosion of Alloys, and (4) Assessments and Technology Transfer. Individual projects are processed separately for the data bases.

  18. NEUTRON MULTIPLICITY AND ACTIVE WELL NEUTRON COINCIDENCE VERIFICATION MEASUREMENTS PERFORMED FOR MARCH 2009 SEMI-ANNUAL DOE INVENTORY

    SciTech Connect

    Dewberry, R.; Ayers, J.; Tietze, F.; Klapper, K.

    2010-02-05

    The Analytical Development (AD) Section field nuclear measurement group performed six 'best available technique' verification measurements to satisfy a DOE requirement instituted for the March 2009 semi-annual inventory. The requirement of (1) yielded the need for SRNL Research Operations Department Material Control & Accountability (MC&A) group to measure the Pu content of five items and the highly enrich uranium (HEU) content of two. No 14Q-qualified measurement equipment was available to satisfy the requirement. The AD field nuclear group has routinely performed the required Confirmatory Measurements for the semi-annual inventories for fifteen years using sodium iodide and high purity germanium (HpGe) {gamma}-ray pulse height analysis nondestructive assay (NDA) instruments. With appropriate {gamma}-ray acquisition modeling, the HpGe spectrometers can be used to perform verification-type quantitative assay for Pu-isotopics and HEU content. The AD nuclear NDA group is widely experienced with this type of measurement and reports content for these species in requested process control, MC&A booking, and holdup measurements assays Site-wide. However none of the AD HpGe {gamma}-ray spectrometers have been 14Q-qualified, and the requirement of reference 1 specifically excluded a {gamma}-ray PHA measurement from those it would accept for the required verification measurements. The requirement of reference 1 was a new requirement for which the Savannah River National Laboratory (SRNL) Research Operations Department (ROD) MC&A group was unprepared. The criteria for exemption from verification were: (1) isotope content below 50 grams; (2) intrinsically tamper indicating or TID sealed items which contain a Category IV quantity of material; (3) assembled components; and (4) laboratory samples. Therefore all (SRNL) Material Balance Area (MBA) items with greater than 50 grams total Pu or greater than 50 grams HEU were subject to a verification measurement. The pass

  19. Annual and Semi-Annual Temperature Oscillations in the Upper Mesosphere

    NASA Technical Reports Server (NTRS)

    Niciejewski, R. J.; Killeen, T. L.

    1995-01-01

    Fourier transform spectrometer observations of the mesosphere have been performed at the University of Michigan (latitude: 42.5 N) on a long term basis. A database of near infrared Meinel hydroxyl spectra has been accumulated from which rotational temperatures have been determined. Harmonic analysis of one-day averaged temperatures for the period 1992.0 to 1994.5 has shown a distinct annual and semi-annual variation. Subsequent fitting of a five term periodic function characterizing the annual and semi-annual temperature oscillations to the daily averaged temperatures was performed. The resultant mean temperature and the amplitudes and phases of the annual and semi-annual variations are shown to coincide with an emission height slightly above 85 km which is consistent with the mean rocket derived altitude for peak nocturnal hydroxyl emission.

  20. Near-infrared spectroscopic monitoring of the diffusion process of deuterium-labeled molecules in wood. Part I: softwood.

    PubMed

    Tsuchikawa, Satoru; Siesler, H W

    2003-06-01

    The diffusion process of several molecules (D2O, n-butanol (OD) and t-butanol (OD)) in softwood (Sitka spruce) was investigated by means of a deuterium exchange method and Fourier transform near-infrared (FT-NIR) polarization spectroscopy. The location of OH groups in different states of order of cellulose in wood was clarified by analyzing the FT-NIR transmission spectra ranging from 7200 to 6000 cm(-1). Four absorption bands were assigned to 2 x v(OH) absorptions of the amorphous regions, OH groups in semi-crystalline regions, and two types of intramolecular hydrogen-bonded OH groups in the crystalline regions, respectively. The saturation level of accessibility was very different for these absorption bands (i.e., 70-80, 60, and 40-50% for the amorphous, semi-crystalline, and crystalline regions, respectively). However, the saturation accessibilities for each absorption band varied little with molecular structure and geometry of the diffusants. The diffusion rate of D2O was much faster than that of n-butanol (OD) and t-butanol (OD) for all states of orders. The size effect of the butanols led to slight differences in the diffusive transport in the crystalline regions.

  1. Migration of additive molecules in a polymer filament obtained by melt spinning: Influence of the fiber processing steps

    SciTech Connect

    Gesta, E.; Skovmand, O.; Espuche, E. Fulchiron, R.

    2015-12-17

    The purpose of this study is to understand the influence of the yarn processing on the migration of additives molecules, especially insecticide, within polyethylene (PE) yarns. Yarns were manufactured in the laboratory focusing on three key-steps (spinning, post-stretching and heat-setting). Influence of each step on yarn properties was investigated using tensile tests, differential scanning calorimetry and wide-angle X-ray diffraction. The post-stretching step was proved to be critical in defining yarn mechanical and structural properties. Although a first orientation of polyethylene crystals was induced during spinning, the optimal orientation was only reached by post-stretching. The results also showed that the heat-setting did not significantly change these properties. The presence of additives crystals at the yarn surface was evidenced by scanning-electron microscopy. These studies performed at each yarn production step allowed a detailed analysis of the additives’ ability to migrate. It is concluded that while post-stretching decreased the migration rate, heat-setting seems to boost this migration.

  2. Migration of additive molecules in a polymer filament obtained by melt spinning: Influence of the fiber processing steps

    NASA Astrophysics Data System (ADS)

    Gesta, E.; Skovmand, O.; Espuche, E.; Fulchiron, R.

    2015-12-01

    The purpose of this study is to understand the influence of the yarn processing on the migration of additives molecules, especially insecticide, within polyethylene (PE) yarns. Yarns were manufactured in the laboratory focusing on three key-steps (spinning, post-stretching and heat-setting). Influence of each step on yarn properties was investigated using tensile tests, differential scanning calorimetry and wide-angle X-ray diffraction. The post-stretching step was proved to be critical in defining yarn mechanical and structural properties. Although a first orientation of polyethylene crystals was induced during spinning, the optimal orientation was only reached by post-stretching. The results also showed that the heat-setting did not significantly change these properties. The presence of additives crystals at the yarn surface was evidenced by scanning-electron microscopy. These studies performed at each yarn production step allowed a detailed analysis of the additives' ability to migrate. It is concluded that while post-stretching decreased the migration rate, heat-setting seems to boost this migration.

  3. Resonance energy transfer and competing processes in donor-acceptor of sodium zinc (II)-2,9,16,23-phthalocyanine tetracarboxylate molecule.

    PubMed

    Al-Omari, Saleh

    2016-06-01

    An important issue that should be taken into consideration when applying the molecules in photodynamic therapy (PDT) of cancer is the occurrence of homo-resonance energy transfer process between them. We have determined the probability of energy transfer for sodium zinc (II)-2,9,16,23-phthalocyanine tetracarboxylate (ZnPc(COONa)4) molecules in aqueous NaOH solution. The homo-quenching effect of the molecule was also measured by calculating the diffusion controlled bimolecular rate constant of k q = 6.5 × 10(9) M(-1)s(-1), which did not show a significant competition with the rate constant of homo-resonance energy transfer process at the applied concentration of the molecules (6 μM). The Förster radius (R  0) for ZnPc(COONa)4 molecules was calculated to be 42 Å. The availability of these calculations should facilitate the potential application of ZnPc(COONa)4 molecule as an anticancer drug in PDT.

  4. Single-molecule fluorescence imaging of processive myosin with enhanced background suppression using linear zero-mode waveguides (ZMWs) and convex lens induced confinement (CLIC).

    PubMed

    Elting, Mary Williard; Leslie, Sabrina R; Churchman, L Stirling; Korlach, Jonas; McFaul, Christopher M J; Leith, Jason S; Levene, Michael J; Cohen, Adam E; Spudich, James A

    2013-01-14

    Resolving single fluorescent molecules in the presence of high fluorophore concentrations remains a challenge in single-molecule biophysics that limits our understanding of weak molecular interactions. Total internal reflection fluorescence (TIRF) imaging, the workhorse of single-molecule fluorescence microscopy, enables experiments at concentrations up to about 100 nM, but many biological interactions have considerably weaker affinities, and thus require at least one species to be at micromolar or higher concentration. Current alternatives to TIRF often require three-dimensional confinement, and thus can be problematic for extended substrates, such as cytoskeletal filaments. To address this challenge, we have demonstrated and applied two new single-molecule fluorescence microscopy techniques, linear zero-mode waveguides (ZMWs) and convex lens induced confinement (CLIC), for imaging the processive motion of molecular motors myosin V and VI along actin filaments. Both technologies will allow imaging in the presence of higher fluorophore concentrations than TIRF microscopy. They will enable new biophysical measurements of a wide range of processive molecular motors that move along filamentous tracks, such as other myosins, dynein, and kinesin. A particularly salient application of these technologies will be to examine chemomechanical coupling by directly imaging fluorescent nucleotide molecules interacting with processive motors as they traverse their actin or microtubule tracks.

  5. Semiclassical study of the quenching of excited-state fluorine atom by hydrogen molecule - Comparison between reactive and nonreactive processes

    NASA Technical Reports Server (NTRS)

    Yuan, J.-M.; Skuse, B. M.; Jaffe, R. L.; Komornicki, A.; Morokuma, K.; George, T. F.

    1980-01-01

    Semiclassical calculations are carried out for the quenching of excited-state fluorine atom by collinear collisions with hydrogen molecule. The overall quenching probability is the sum of two contributions: the reactive quenching probability associated with the formation of hydrogen fluoride and the nonreactive quenching probability leading to ground-state fluorine atom and hydrogen molecule. The reactive probability is greater in the threshold region of the collision energy, whereas the nonreactive probability dominates for energies above the threshold region.

  6. Kinematic slowing and electrostatic guiding of KBr molecules formed by the reactive collision process: K + HBr --> KBr + H.

    PubMed

    Liu, Ning-Ning; Loesch, Hansjürgen

    2010-03-11

    We have generated a beam of translationally cold KBr molecules formed by exoergic reactive collisions in counterpropagating beams of K atoms and HBr molecules. The method relies on the extreme mass ratio of the products and the proper choice of the beam velocities (Liu, N.-N.; Loesch, H. J. Phys. Rev. Lett. 2007, 98, 10300). Here, we report the results of experiments on guiding the slow molecules from the site of their creation to the detector by a linear electrostatic quadrupole field. The device enhances the total intensity by a factor of 2.3 and the intensity at 14.2 m/s (1.4K) by an order of magnitude. The density velocity distributions, deduced directly from the observed time-of-flight profiles, peak at 20 m/s (2.9K). A numerical simulation of the guiding efficiency indicates that the polarization of the nascent molecules is first altered by a sudden change of the quantization axis from parallel to the initial relative velocity to parallel to the fringing field and thereafter follows adiabatically the local field as quantization axis. Drastic differences between the velocity and rotational state distributions of the molecules entering and leaving the energized quadrupole field are predicted. The counterpropagating beams can be used to continuously load an electrostatic trap. The equilibrium density of confined molecules is estimated to 1 x 10(7) cm(-3).

  7. The SPARC water vapour assessment II: comparison of annual, semi-annual and quasi-biennial variations in stratospheric and lower mesospheric water vapour observed from satellites

    NASA Astrophysics Data System (ADS)

    Lossow, Stefan; Khosrawi, Farahnaz; Nedoluha, Gerald E.; Azam, Faiza; Bramstedt, Klaus; Burrows, John. P.; Dinelli, Bianca M.; Eriksson, Patrick; Espy, Patrick J.; García-Comas, Maya; Gille, John C.; Kiefer, Michael; Noël, Stefan; Raspollini, Piera; Read, William G.; Rosenlof, Karen H.; Rozanov, Alexei; Sioris, Christopher E.; Stiller, Gabriele P.; Walker, Kaley A.; Weigel, Katja

    2017-03-01

    In the framework of the second SPARC (Stratosphere-troposphere Processes And their Role in Climate) water vapour assessment (WAVAS-II), the amplitudes and phases of the annual, semi-annual and quasi-biennial variation in stratospheric and lower mesospheric water were compared using 30 data sets from 13 different satellite instruments. These comparisons aimed to provide a comprehensive overview of the typical uncertainties in the observational database which can be considered in subsequent observational and modelling studies. For the amplitudes, a good agreement of their latitude and altitude distribution was found. Quantitatively there were differences in particular at high latitudes, close to the tropopause and in the lower mesosphere. In these regions, the standard deviation over all data sets typically exceeded 0.2 ppmv for the annual variation and 0.1 ppmv for the semi-annual and quasi-biennial variation. For the phase, larger differences between the data sets were found in the lower mesosphere. Generally the smallest phase uncertainties can be observed in regions where the amplitude of the variability is large. The standard deviations of the phases for all data sets were typically smaller than a month for the annual and semi-annual variation and smaller than 5 months for the quasi-biennial variation. The amplitude and phase differences among the data sets are caused by a combination of factors. In general, differences in the temporal variation of systematic errors and in the observational sampling play a dominant role. In addition, differences in the vertical resolution of the data, the considered time periods and influences of clouds, aerosols as well as non-local thermodynamic equilibrium (NLTE) effects cause differences between the individual data sets.

  8. First-principles analysis of C2H2 molecule diffusion and its dissociation process on the ferromagnetic bcc-Fe110 surface.

    PubMed

    Ikeda, Minoru; Yamasaki, Takahiro; Kaneta, Chioko

    2010-09-29

    Using the projector-augmented plane wave method, we study diffusion and dissociation processes of C(2)H(2) molecules on the ferromagnetic bcc-Fe(110) surface and investigate the formation process of graphene created by C(2)H(2) molecules. The most stable site for C(2)H(2) on the Fe surface is a hollow site and its adsorption energy is - 3.5 eV. In order to study the diffusion process of the C(2)H(2) molecule, the barrier height energies for the C atom, C(2)-dimer and CH as well as the C(2)H(2) molecule are estimated using the nudged elastic band method. The barrier height energy for C(2)H(2) is 0.71 eV and this indicates that the C(2)H(2) diffuses easily on this FM bcc-Fe(110) surface. We further investigate the two step dissociation process of C(2)H(2) on Fe. The first step is the dissociation of C(2)H(2) into C(2)H and H, and the second step is that of C(2)H into C(2) and H. Their dissociation energies are 0.9 and 1.2 eV, respectively. These energies are relatively small compared to the dissociation energy 7.5 eV of C(2)H(2) into C(2)H and H in the vacuum. Thus, the Fe surface shows catalytic effects. We further investigate the initial formation process of graphene by increasing the coverage of C(2)H(2). The formation process of the benzene molecule on the FM bcc(110) surface is also discussed. We find that there exists a critical coverage of C(2)H(2) which characterizes the beginning of the formation of the graphene.

  9. Semiannual report to Congress, October 1, 1995--March 31, 1996

    SciTech Connect

    1996-04-01

    This Office of Inspector General Semiannual Report to the Congress covers the period from October 1, 1995, through March 31, 1996. The report summarizes significant audit, inspection, and investigative accomplishments for the reporting period, a large portion of which facilitated Department of Energy management efforts to improve management controls and ensure efficient and effective operation of its programs. A major accomplishment during this period was the completion of financial statement audits for Fiscal Year 1995. Annual financial statement audits are mandated by the Chief Financial Officers Act of 1990. Narratives of our most significant reports are grouped by measures which the Office of Inspector General uses to gauge its performance. The common thread that ties the performance measures together is their emphasis on supporting Department efforts to produce high quality products at the lowest possible cost to the taxpayer. During this reporting period, the Office of Inspector General issued 67 audit and 15 inspection reports. For reports issued during the period, the Office of Inspector General made audit recommendations that, when implemented by management, could result in $134.6 million being put to better use. Management committed to taking corrective actions which the Office of Inspector General estimates will result in a more efficient use of funds totaling $333.2 million. Office of Inspector General investigations led to 6 criminal convictions and 1 pretrial diversion, as well as criminal and civil prosecutions which resulted in fines and recoveries of $10,942,714. The Office of Inspector General also provided 33 investigative referrals to management for recommended positive action.

  10. Perylene-Diimide Based Donor-Acceptor-Donor Type Small-Molecule Acceptors for Solution-Processable Organic Solar Cells

    NASA Astrophysics Data System (ADS)

    Ganesamoorthy, Ramasamy; Vijayaraghavan, Rajagopalan; Sakthivel, Pachagounder

    2017-08-01

    Development of nonfullerene acceptors plays an important role in the commercial availability of plastic solar cells. We report herein synthesis of bay-substituted donor-acceptor-donor (D-A-D)-type perylene diimide (PDI)-based small molecules (SM-1 to SM-4) by Suzuki coupling method and their use as acceptors in bulk heterojunction organic solar cells (BHJ-OSCs) with poly(3-hexylthiophene) (P3HT) polymer donor. We varied the number of electron-rich thiophene units and the solubilizing side chains and also evaluated the optical and electrochemical properties of the small molecules. The synthesized small molecules were confirmed by Fourier-transform infrared (FT-IR) spectroscopy, nuclear magnetic resonance (NMR) spectroscopy, and high-resolution mass spectroscopy (HR-MS). The small molecules showed extensive and strong absorption in the ultraviolet-visible (UV-Vis) region up to 750 nm, with bandgap (E_{{g}}^{{opt}} ) reduced below <2 eV. The energy levels of small molecules SM-1 to SM-4 were suitable for use as electron-accepting materials. The small molecules showed good thermal stability up to 300°C. BHJ-OSCs with SM-1 and P3HT polymer donor showed maximum power conversion efficiency (PCE) of 0.19% with V oc of 0.30 V, J sc of 1.72 mA cm-2, and fill factor (FF) of 37%. The PCE decreased with the number of thiophene units. The PCE of SM-2 was lower than that of SM-1. This difference in PCE can be explained by the higher aggregation tendency of the bithiophene compared with the thiophene unit. Introduction of the solubilizing group in the bay position increased the aggregation property, leading to much lower PCE than for the small molecules without solubilizing group.

  11. Annual and semiannual variations of thermospheric density: EOF analysis of CHAMP and GRACE data

    NASA Astrophysics Data System (ADS)

    Lei, Jiuhou; Matsuo, Tomoko; Dou, Xiankang; Sutton, Eric; Luan, Xiaoli

    2012-01-01

    In this paper, observations from CHAMP and GRACE during 2002-2010 are used to study the seasonal variations of thermospheric density by characterizing the dominant modes of thermospheric density variability as empirical orthogonal functions (EOFs). Our results showed that the first three EOFs captured most of the density variability, which can be as large as 98% of total density variability. Subsequently, the obtained mean field, first three EOFs and the corresponding amplitudes of three EOFs are applied to construct a thermospheric density model at 400 km to study seasonal variations of thermospheric density under geomagnetically quiet conditions. Thermospheric density shows strong latitudinal dependence in seasonal variation, although it usually has maxima near the equinoxes and minimum in the local winter at middle and high latitudes. Semiannual variations imbedded in the annual variations are seen at all latitudes; annual variations however become dominant in the southern hemisphere. Specifically, the observations show that the annual amplitude can reach as large as 40-50% of the annual mean at high latitudes in the southern hemisphere and it decreases gradually from the southern to northern hemisphere. The semiannual component to the annual mean is about 15-20% without significant latitudinal dependence. Additionally, the relative amplitudes of annual and semiannual variations in the MSISE00 density agree fairly well with the observations, albeit the MSISE00 gives an opposite solar activity dependence for the annual and semiannual variations compared with the positive F107 dependence seen in the observations.

  12. Unconventional gas recovery program. Semi-annual report for the period ending September 30, 1979

    SciTech Connect

    Manilla, R.D.

    1980-04-01

    This document is the third semi-annual report describing the technical progress of the US DOE projects directed at gas recovery from unconventional sources. Currently the program includes Methane Recovery from Coalbeds Project, Eastern Gas Shales Project, Western Gas Sands Project, and Geopressured Aquifers Project.

  13. Annual and semi-annual cycle of equatorial Atlantic circulation associated with basin mode resonance

    NASA Astrophysics Data System (ADS)

    Brandt, Peter; Claus, Martin; Greatbatch, Richard J.; Kopte, Robert; Toole, John M.; Johns, William E.; Böning, Claus W.

    2016-04-01

    Seasonal variability of the tropical Atlantic circulation is dominated by the annual cycle, but semi-annual variability is also pronounced, despite weak forcing at that period. Here we use multi-year, full depth velocity measurements from the central equatorial Atlantic to analyze the vertical structure of annual and semi-annual variations of zonal velocity. A baroclinic modal decomposition finds that the annual cycle is dominated by the 4th mode and the semi-annual cycle by the 2nd mode. Similar local behavior is found in a high-resolution general circulation model. This simulation reveals that the annual and semi-annual cycles of the respective dominant baroclinic modes are associated with characteristic basin-wide structures. Using an idealized linear reduced-gravity model to simulate the dynamics of individual baroclinic modes, it is shown that the observed circulation variability can be best explained by resonant equatorial basin modes. Companion simulations using the reduced-gravity model varying the basin geometry, i.e. square basin versus realistic coastlines, and forcing, i.e. spatially uniform versus spatially varying wind forcing, show a structural robustness of the simulated basin modes. A main focus of this study is the seasonal variability of the Equatorial Undercurrent (EUC) as identified in recent observational studies. Main characteristics of the observed EUC including seasonal variability of transport, core depth, and maximum core velocity can be explained by the linear superposition of the dominant equatorial basin modes as obtained from the reduced-gravity model.

  14. State Research Coordinating Unit Activities for the Period July 1, 1971-December 31, 1971. Semiannual Report.

    ERIC Educational Resources Information Center

    Bureau of Adult, Vocational, and Technical Education (DHEW/OE), Washington, DC.

    This semiannual report summarizes research activities of the State Research Coordinating Units conducted under Section 131(b) of the Vocational Education Amendments of 1968 during the first half of fiscal year 1972. The purpose of the report is to facilitate exchange of information and reduce duplication of effort among the states by providing…

  15. Inspector General's Semiannual Report to Congress, No. 55. April 1, 2007-September 30, 2007

    ERIC Educational Resources Information Center

    US Department of Education, 2007

    2007-01-01

    This semiannual report to Congress on the activities and accomplishments of the Office of Inspector General (OIG), U.S. Department of Education (Department) from April 1, 2007, through September 30, 2007, highlights the audits, inspections, investigations, and other activities to illustrate an ongoing commitment to promoting accountability,…

  16. NRC regulatory agenda: Semiannual report, July--December 1996. Volume 15, Number 2

    SciTech Connect

    1997-03-01

    The NRC Regulatory Agenda is a compilation of all rules on which the NRC has recently completed action, or has proposed action, or is considering action, and all petitions for rulemaking which have been received by the Commission and are pending disposition by the Commission. The Regulatory Agenda is updated and issued semiannually.

  17. Fusion materials semiannual progress report for period ending December 31, 1999

    SciTech Connect

    Burn, G.

    2000-03-01

    This is the twenty-seventh in a series of semiannual technical progress reports on fusion materials. This report combines the full spectrum of research and development activities on both metallic and non-metallic materials with primary emphasis on the effects of the neutronic and chemical environment on the properties and performance of materials for in-vessel components.

  18. Electronic relaxation processes in polyatomic molecules. Progress report, September 1980-August 1981. [Diazanaphthalenes, methyl substituted pyrazines, acridine

    SciTech Connect

    Lim, E.C.

    1981-09-01

    In the past year, our specific aims were to study excited (singlet)-state dynamics of heteraromatic molecules related to proximity effect, spin-sublevel dynamics of the lowest triplet state of diazanaphthalenes and methyl substituted pyrazines, and radiationless transitions in electron donor-acceptor complexes (exciplexes and charge-transfer complexes). In addition to successfully completing several aspects of these objectives, we have carried out pico-second spectral studies of temperature dependence of fluorescence and triplet formation in fluid solutions of acridine, which does not exhibit photophysical properties of molecules with nearby n..pi..* and ..pi pi..* singlet states. The progress on each is discussed.

  19. A Solution-Processable Molecule using Thieno[3,2-b]thiophene as Building Block for Efficient Organic Solar Cells.

    PubMed

    Wei, Huan; Chen, Weichao; Han, Liangliang; Wang, Ting; Bao, Xichang; Li, Xiaoyun; Liu, Jie; Zhou, Yuanhang; Yang, Renqiang

    2015-08-01

    A solution-processed acceptor-π-donor-π-acceptor (A-π-D-π-A) type small molecule, namely DCATT, has been designed and synthesized for the application as donor material in organic solar cells. The fused aromatic unit thieno[3,2-b]thiophene (TT) flanked with thiophene is applied as π bridge, while 4,8-bisthienyl substituted benzodithiophene (BDT) and 2-ethylhexyl cyanoacetate are chosen as the central building block and end group, respectively. Introduction of fused ring to the small molecule enhances the conjugation length of the main chain, and gives a strong tendency to form π-π stacking with a large overlapping area which favors to high charge carrier transport. Small-molecule organic solar cells based on blends of DCATT and fullerene acceptor exhibit power conversion efficiencies as high as 5.20 % under the illumination of AM 1.5G, 100 mW cm(-2) .

  20. Modeling the Impact and Costs of Semiannual Mass Drug Administration for Accelerated Elimination of Lymphatic Filariasis

    PubMed Central

    de Vlas, Sake J.; Fischer, Peter U.; Weil, Gary J.; Goldman, Ann S.

    2013-01-01

    The Global Program to Eliminate Lymphatic Filariasis (LF) has a target date of 2020. This program is progressing well in many countries. However, progress has been slow in some countries, and others have not yet started their mass drug administration (MDA) programs. Acceleration is needed. We studied how increasing MDA frequency from once to twice per year would affect program duration and costs by using computer simulation modeling and cost projections. We used the LYMFASIM simulation model to estimate how many annual or semiannual MDA rounds would be required to eliminate LF for Indian and West African scenarios with varied pre-control endemicity and coverage levels. Results were used to estimate total program costs assuming a target population of 100,000 eligibles, a 3% discount rate, and not counting the costs of donated drugs. A sensitivity analysis was done to investigate the robustness of these results with varied assumptions for key parameters. Model predictions suggested that semiannual MDA will require the same number of MDA rounds to achieve LF elimination as annual MDA in most scenarios. Thus semiannual MDA programs should achieve this goal in half of the time required for annual programs. Due to efficiency gains, total program costs for semiannual MDA programs are projected to be lower than those for annual MDA programs in most scenarios. A sensitivity analysis showed that this conclusion is robust. Semiannual MDA is likely to shorten the time and lower the cost required for LF elimination in countries where it can be implemented. This strategy may improve prospects for global elimination of LF by the target year 2020. PMID:23301115

  1. Molecule nanoweaver

    DOEpatents

    Gerald, II; Rex, E [Brookfield, IL; Klingler, Robert J [Glenview, IL; Rathke, Jerome W [Homer Glen, IL; Diaz, Rocio [Chicago, IL; Vukovic, Lela [Westchester, IL

    2009-03-10

    A method, apparatus, and system for constructing uniform macroscopic films with tailored geometric assemblies of molecules on the nanometer scale. The method, apparatus, and system include providing starting molecules of selected character, applying one or more force fields to the molecules to cause them to order and condense with NMR spectra and images being used to monitor progress in creating the desired geometrical assembly and functionality of molecules that comprise the films.

  2. High performance asymmetrical push-pull small molecules end-capped with cyanophenyl for solution-processed solar cells.

    PubMed

    Gao, Hang; Li, Yanqin; Wang, Lihui; Ji, Changyan; Wang, Yue; Tian, Wenjing; Yang, Xichuan; Yin, Lunxiang

    2014-09-14

    Two novel asymmetrical push-pull small molecules have been synthesized successfully, consisting of triphenylamine and diketopyrrolopyrrole as a fundamental dipolar D-π-A structure with ethynylbenzene as the π-bridge. TPATDPPCN end-capped with cyanophenyl exhibits a low optical band gap of 1.65 eV, and an impressive PCE of 5.94% has been achieved.

  3. A D-π-A1-π-A2 push-pull small molecule donor for solution processed bulk heterojunction organic solar cells.

    PubMed

    Gautam, Prabhat; Misra, Rajneesh; Biswas, Subhayan; Sharma, Ganesh D

    2016-05-18

    Herein, benzothiadiazole (BTD), as an acceptor A1, has been used as a backbone to link triphenylamine (TPA) as donor and naphthalimide (NPI) as acceptor (A2) moieties through ethylene linkers to design a small molecule. The donor-π-acceptor-π-acceptor (D-π-A1-π-A2) type small molecule denoted as was synthesized. In order to use it as an electron donor for solution processed bulk heterojunction small molecule solar cells its photonic and electronic properties were explored. The small molecule organic solar cells based on the optimized blend of with PC71BM processed in chloroform showed a power conversion efficiency (PCE) of 2.21%, which was significantly improved up to 6.67%, when a two-step annealing (TSA) treated blend was used as an active layer. The increase in the PCE was due to the enhancement in both Jsc and FF. The improvement in Jsc was related to the enhancement in the light harvesting efficiency of a TSA treated active layer relative to the as-cast layer, which is reflected in a better IPCE and better charge collection. The TSA treatment also leads to better nanoscale morphology for exciton dissociation into free charge carriers and improved crystallinity for balanced charge transport.

  4. Solution processable benzooxadiazole and benzothiadiazole based D-A-D molecules with chalcogenophene: field effect transistor study and structure property relationship.

    PubMed

    Pati, Palas Baran; Senanayak, Satyaprasad P; Narayan, K S; Zade, Sanjio S

    2013-12-11

    We present here the physicochemical characterization of a series of D-A-D type molecules which comprise benzooxadiazole (BDO) and benzothiadiazole (BDT) core symmetrically linked to two aromatic-heterols (furan (F), thiophene (T) and selenophene (Se)) at 4 and 7-positions. The molecular structures of four compounds 2 (T-BDO-T), 3 (Se-BDO-Se), 5 (T-BDT-T), and 6 (Se-BDT-Se) were determined by single-crystal X-ray diffraction. The combination of chalcogen atoms of benzochalcogenadiazole and chalcogenophene in D-A-D molecules has significant impact on their molecular packing in crystal structures. Structural analyses and theoretical calculations showed that all the molecules are nearly planar. Crystal structures of 2, 3, 5, and 6 showed significant short range interactions such as π···π, CH···π, S···π, Se···π, N···H, O···H, S···H, Se···H, S···O, and Se···N interactions, which influence crystal packing and orientation of the capped aromatic-heterol rings with respect to the central BDO or BDT unit. The π-stacking interactions have been observed via intermolecular overlap of the donor with acceptor units of the adjacent molecules which facilitate the charge transport process. Good thermal stability and solubility in common organic solvents make them good candidate for flexible electronics. Interestingly, the molecules 2, 3, and 6 have the propensity to form ordered crystallites when sheared during the drying process in the thin films. Devices based on these solution processable all organic FETs demonstrated hole mobility as high as 0.08 cm(2) V(-1) s(-1) and Ion/Ioff ratio of 10(4).

  5. The stratopause semiannual oscillation in the NCAR Community Climate Model

    NASA Technical Reports Server (NTRS)

    Sassi, Fabrizio; Garcia, Roland R.; Boville, Byron A.

    1993-01-01

    The middle atmospheric version of the NCAR Community Climate Model (CCM2) has been used to study the development of the equatorial semiannual oscillation (SAO) in the stratosphere. The model domain extends from the ground to about 80 km, with a vertical resolution of 1 km. Transport of nitrous oxide (N2O) with simplified photochemistry is included in the calculation to illustrate the influence of tropical circulations on the distribution of trace species. Diagnosis of model output reveals two distinct phases in the evolution of the zonal mean state on the equator. In early December, a strong and broad easterly jet appears near the stratopause in connection with a midlatitude wave event (sudden stratospheric warming) that reverses the winter westerlies of the Northern Hemisphere throughout the upper stratosphere. When the wave forcing dies out, the radiative drive allows the westerlies to recover at midlatitudes, while easterlies persist in the tropics. The resulting strong meridional gradient of the zonal mean wind provides favorable conditions for the development of inertial instability at lower latitudes. The meridional circulation associated with the instability shapes the 'nose' of the easterly jet, reducing the extension of the unstable region. In equinoctial conditions, a jet of westerlies appears in the lower equatorial mesosphere and descends to lower altitudes; positive accelerations associated with the descending westerlies are due primarily to Kelvin waves. The descent of the westerly jet does not reproduce well the observed behavior of the SAO westerly phase, either in amplitude or in the extent of downward propagation. As a consequence, the model does not simulate the 'double peak' observed in the tropical distribution of N2O. Comparison of wave amplitudes in the model with those derived from satellite observations shows that the calculated amplitudes are larger than observed in the upper stratosphere. It follows that inadequate Kelvin wave forcing is

  6. The stratopause semiannual oscillation in the NCAR Community Climate Model

    NASA Technical Reports Server (NTRS)

    Sassi, Fabrizio; Garcia, Roland R.; Boville, Byron A.

    1993-01-01

    The middle atmospheric version of the NCAR Community Climate Model (CCM2) has been used to study the development of the equatorial semiannual oscillation (SAO) in the stratosphere. The model domain extends from the ground to about 80 km, with a vertical resolution of 1 km. Transport of nitrous oxide (N2O) with simplified photochemistry is included in the calculation to illustrate the influence of tropical circulations on the distribution of trace species. Diagnosis of model output reveals two distinct phases in the evolution of the zonal mean state on the equator. In early December, a strong and broad easterly jet appears near the stratopause in connection with a midlatitude wave event (sudden stratospheric warming) that reverses the winter westerlies of the Northern Hemisphere throughout the upper stratosphere. When the wave forcing dies out, the radiative drive allows the westerlies to recover at midlatitudes, while easterlies persist in the tropics. The resulting strong meridional gradient of the zonal mean wind provides favorable conditions for the development of inertial instability at lower latitudes. The meridional circulation associated with the instability shapes the 'nose' of the easterly jet, reducing the extension of the unstable region. In equinoctial conditions, a jet of westerlies appears in the lower equatorial mesosphere and descends to lower altitudes; positive accelerations associated with the descending westerlies are due primarily to Kelvin waves. The descent of the westerly jet does not reproduce well the observed behavior of the SAO westerly phase, either in amplitude or in the extent of downward propagation. As a consequence, the model does not simulate the 'double peak' observed in the tropical distribution of N2O. Comparison of wave amplitudes in the model with those derived from satellite observations shows that the calculated amplitudes are larger than observed in the upper stratosphere. It follows that inadequate Kelvin wave forcing is

  7. Systematic study of the chemical ordering in bimetallic Gold-Gold nanoparticles and the adsorption process of methyl thiol molecules on Gold-55 clusters

    NASA Astrophysics Data System (ADS)

    Barron-Escobar, Hector

    In this thesis we have investigated the structural evolution and their effect on the electronic and magnetic properties of bimetallic Au-Ag nanoalloys when the chemical ordering takes place, as well as the study of the adsorption of methyl-thiol molecules on Au55 cluster by using density functional theory (DFT) calculations within the generalized gradient approximation (GGA) as implemented in the SIESTA code. From different highly symmetric geometries we explored the structural evolution of all possible non-equivalent configurations at different Au-Ag concentrations for bimetallic nanoparticles (NPs) of 4, 6, 7 and 13 atoms. The most favorable structures for each cluster were obtained comparing their energetic stability through the calculation of their excess energy, linking the structure with specific features of their HOMO-LUMO gap end their total spin as the mixing takes place in each cluster. We found structural transitions from tri-dimensional geometries into planar as well as high spin values for tri-dimensional clusters up to 7 atoms. Distorted structures were obtained in almost all the 13-atom clusters. This has an important impact in their electronic and magnetic properties since the distortion highly determines the HOMO-LUMO gap and the total spin values. From all the 13-atom clusters, the most stable structures were the decahedra and the buckled bi-planar (BBP). We have also investigated the adsorption process of methyl-thiol molecules on Au55 NPs by calculating the adsorption energy for different trial configurations of SCH3-Au 55 system. Different adsorption modes were considered using the Ih symmetry of the Au cluster and taking into account the molecule orientation, as well as the rotation of the CH3 group of the molecule. Upon the adsorption we found that the molecule prefers to be adsorbed in the bridge sites, independently of their initial configuration. The atomic arrangement of the Au cluster as well as the bond lengths between Au atoms and S

  8. The Importance of End Groups for Solution-Processed Small-Molecule Bulk-Heterojunction Photovoltaic Cells.

    PubMed

    Duan, Ruomeng; Cui, Yong; Zhao, Yanfei; Li, Chen; Chen, Long; Hou, Jianhui; Wagner, Manfred; Baumgarten, Martin; He, Chang; Müllen, Klaus

    2016-05-10

    End groups in small-molecule photovoltaic materials are important owing to their strong influence on molecular stability, solubility, energy levels, and aggregation behaviors. In this work, a series of donor-acceptor pentads (D2 -A-D1 -A-D2 ) were designed and synthesized, aiming to investigate the effect of the end groups on the materials properties and photovoltaic device performance. These molecules share identical central A-D1 -A triads (with benzodithiophene as D1 and 6-carbonyl-thieno[3,4-b]thiophene as A), but with various D2 end groups composed of alkyl-substituted thiophene (T), thieno[3,2-b]thiophene (TT), and 2,2'-bithiophene (BT). The results indicate a relationship between conjugated segment/alkyl chain length of the end groups and the photovoltaic performance, which contributes to the evolving molecular design principles for high efficiency organic solar cells.

  9. iSBatch: a batch-processing platform for data analysis and exploration of live-cell single-molecule microscopy images and other hierarchical datasets.

    PubMed

    Caldas, Victor E A; Punter, Christiaan M; Ghodke, Harshad; Robinson, Andrew; van Oijen, Antoine M

    2015-10-01

    Recent technical advances have made it possible to visualize single molecules inside live cells. Microscopes with single-molecule sensitivity enable the imaging of low-abundance proteins, allowing for a quantitative characterization of molecular properties. Such data sets contain information on a wide spectrum of important molecular properties, with different aspects highlighted in different imaging strategies. The time-lapsed acquisition of images provides information on protein dynamics over long time scales, giving insight into expression dynamics and localization properties. Rapid burst imaging reveals properties of individual molecules in real-time, informing on their diffusion characteristics, binding dynamics and stoichiometries within complexes. This richness of information, however, adds significant complexity to analysis protocols. In general, large datasets of images must be collected and processed in order to produce statistically robust results and identify rare events. More importantly, as live-cell single-molecule measurements remain on the cutting edge of imaging, few protocols for analysis have been established and thus analysis strategies often need to be explored for each individual scenario. Existing analysis packages are geared towards either single-cell imaging data or in vitro single-molecule data and typically operate with highly specific algorithms developed for particular situations. Our tool, iSBatch, instead allows users to exploit the inherent flexibility of the popular open-source package ImageJ, providing a hierarchical framework in which existing plugins or custom macros may be executed over entire datasets or portions thereof. This strategy affords users freedom to explore new analysis protocols within large imaging datasets, while maintaining hierarchical relationships between experiments, samples, fields of view, cells, and individual molecules.

  10. Solution-processed small molecule-polymer blend organic thin-film transistors with hole mobility greater than 5 cm2/Vs.

    PubMed

    Smith, Jeremy; Zhang, Weimin; Sougrat, Rachid; Zhao, Kui; Li, Ruipeng; Cha, Dongkyu; Amassian, Aram; Heeney, Martin; McCulloch, Iain; Anthopoulos, Thomas D

    2012-05-08

    Using phase-separated organic semiconducting blends containing a small molecule, as the hole transporting material, and a conjugated amorphous polymer, as the binder material, we demonstrate solution-processed organic thin-film transistors with superior performance characteristics that include; hole mobility >5 cm(2) /Vs, current on/off ratio ≥10(6) and narrow transistor parameter spread. These exceptional characteristics are attributed to the electronic properties of the binder polymer and the advantageous nanomorphology of the blend film.

  11. Interstellar molecules

    NASA Technical Reports Server (NTRS)

    Townes, C. H.

    1976-01-01

    Progress in the discovery and study of interstellar molecules is summarized. The 36 molecular species thus far identified in interstellar space are listed in several groups which include simple hydrides, oxides, and sulfides, various derivatives of ammonia, molecules involving linear carbon chains, cyanides, and molecules related in structure to formaldehyde, alcohols, or ethers. Several free radicals are described, the discovery of molecules in external galaxies is discussed, and possible mechanisms for molecular formation are noted. Methods for examining relative isotopic abundances by measuring molecules in interstellar clouds are outlined, mechanisms for the excitation of interstellar molecules are reviewed, and values are presented for the C-12/C-13 abundance ratio in a number of interstellar clouds. The detection of interstellar masers is discussed along with pumping mechanisms and masing transitions in H2CO, CH, OH, and SiO. The nature of dense interstellar clouds is examined in terms of several simple and complex cloud models, with emphasis on multiple condensation models.

  12. [Endothelial cell adhesion molecules].

    PubMed

    Ivanov, A N; Norkin, I A; Puchin'ian, D M; Shirokov, V Iu; Zhdanova, O Iu

    2014-01-01

    The review presents current data concerning the functional role of endothelial cell adhesion molecules belonging to different structural families: integrins, selectins, cadherins, and the immunoglobulin super-family. In this manuscript the regulatory mechanisms and factors of adhesion molecules expression and distribution on the surface of endothelial cells are discussed. The data presented reveal the importance of adhesion molecules in the regulation of structural and functional state of endothelial cells in normal conditions and in pathology. Particular attention is paid to the importance of these molecules in the processes of physiological and pathological angiogenesis, regulation of permeability of the endothelial barrier and cell transmigration.

  13. Proteasome subtypes and regulators in the processing of antigenic peptides presented by class I molecules of the major histocompatibility complex.

    PubMed

    Vigneron, Nathalie; Van den Eynde, Benoît J

    2014-11-18

    The proteasome is responsible for the breakdown of cellular proteins. Proteins targeted for degradation are allowed inside the proteasome particle, where they are cleaved into small peptides and released in the cytosol to be degraded into amino acids. In vertebrates, some of these peptides escape degradation in the cytosol, are loaded onto class I molecules of the major histocompatibility complex (MHC) and displayed at the cell surface for scrutiny by the immune system. The proteasome therefore plays a key role for the immune system: it provides a continued sampling of intracellular proteins, so that CD8-positive T-lymphocytes can kill cells expressing viral or tumoral proteins. Consequently, the repertoire of peptides displayed by MHC class I molecules at the cell surface depends on proteasome activity, which may vary according to the presence of proteasome subtypes and regulators. Besides standard proteasomes, cells may contain immunoproteasomes, intermediate proteasomes and thymoproteasomes. Cells may also contain regulators of proteasome activity, such as the 19S, PA28 and PA200 regulators. Here, we review the effects of these proteasome subtypes and regulators on the production of antigenic peptides. We also discuss an unexpected function of the proteasome discovered through the study of antigenic peptides: its ability to splice peptides.

  14. Proteasome Subtypes and Regulators in the Processing of Antigenic Peptides Presented by Class I Molecules of the Major Histocompatibility Complex

    PubMed Central

    Vigneron, Nathalie; Van den Eynde, Benoît J.

    2014-01-01

    The proteasome is responsible for the breakdown of cellular proteins. Proteins targeted for degradation are allowed inside the proteasome particle, where they are cleaved into small peptides and released in the cytosol to be degraded into amino acids. In vertebrates, some of these peptides escape degradation in the cytosol, are loaded onto class I molecules of the major histocompatibility complex (MHC) and displayed at the cell surface for scrutiny by the immune system. The proteasome therefore plays a key role for the immune system: it provides a continued sampling of intracellular proteins, so that CD8-positive T-lymphocytes can kill cells expressing viral or tumoral proteins. Consequently, the repertoire of peptides displayed by MHC class I molecules at the cell surface depends on proteasome activity, which may vary according to the presence of proteasome subtypes and regulators. Besides standard proteasomes, cells may contain immunoproteasomes, intermediate proteasomes and thymoproteasomes. Cells may also contain regulators of proteasome activity, such as the 19S, PA28 and PA200 regulators. Here, we review the effects of these proteasome subtypes and regulators on the production of antigenic peptides. We also discuss an unexpected function of the proteasome discovered through the study of antigenic peptides: its ability to splice peptides. PMID:25412285

  15. A spray-coating process for highly conductive silver nanowire networks as the transparent top-electrode for small molecule organic photovoltaics.

    PubMed

    Selzer, Franz; Weiss, Nelli; Kneppe, David; Bormann, Ludwig; Sachse, Christoph; Gaponik, Nikolai; Eychmüller, Alexander; Leo, Karl; Müller-Meskamp, Lars

    2015-02-14

    We present a novel top-electrode spray-coating process for the solution-based deposition of silver nanowires (AgNWs) onto vacuum-processed small molecule organic electronic solar cells. The process is compatible with organic light emitting diodes (OLEDs) and organic light emitting thin film transistors (OLETs) as well. By modifying commonly synthesized AgNWs with a perfluorinated methacrylate, we are able to disperse these wires in a highly fluorinated solvent. This solvent does not dissolve most organic materials, enabling a top spray-coating process for sensitive small molecule and polymer-based devices. The optimized preparation of the novel AgNW dispersion and spray-coating at only 30 °C leads to high performance electrodes directly after the deposition, exhibiting a sheet resistance of 10.0 Ω □(-1) at 87.4% transparency (80.0% with substrate). By spraying our novel AgNW dispersion in air onto the vacuum-processed organic p-i-n type solar cells, we obtain working solar cells with a power conversion efficiency (PCE) of 1.23%, compared to the air exposed reference devices employing thermally evaporated thin metal layers as the top-electrode.

  16. Asymmetrical Squaraines Bearing Fluorine-Substituted Indoline Moieties for High-Performance Solution-Processed Small-Molecule Organic Solar Cells.

    PubMed

    Yang, Daobin; Yang, Lin; Huang, Yan; Jiao, Yan; Igarashi, Tsukasa; Chen, Yao; Lu, Zhiyun; Pu, Xuemei; Sasabe, Hisahiro; Kido, Junji

    2015-06-24

    Two novel asymmetrical squaraines based on the indoline unit, ASQ-5-F and ASQ-5-DF, with one and two fluorine substituents, have been developed to investigate the effect of fluorine substituted on small-molecule bulk-heterojunction (BHJ) organic solar cells (OSCs). In comparison with non-fluorine-substituted ASQ-5, both fluorine-substituted ASQ-5-F and ASQ-5-DF possess analogous absorption band gaps but 0.05 and 0.10 eV lowered highest occupied molecular orbital (HOMO) energy levels, respectively. Single-crystal analysis exhibits that ASQ-5-DF shows more desirable intermolecular packing patterns for the hole-carrier collection than ASQ-5 does; hence, higher hole mobility could be acquired. Therefore, solution-processed small-molecule BHJ OSCs fabricated with ASQ-5-F/PC71BM and ASQ-5-DF/PC71BM blends exhibit extremely higher power conversion efficiency (PCE; 5.0% and 6.0%, respectively) than that of ASQ-5/PC71BM (4.5%). The much improved PCE could be attributed to the simultaneously enhanced Voc, Jsc, and FF relative to those of the ASQ-5-based device. To our knowledge, this is the highest PCE (6.0%) among squaraine-based solution-processed BHJ OSCs and the highest PCE in OSCs based on the fluorinated donor segment of small molecules.

  17. Diversity of natural self-derived ligands presented by different HLA class I molecules in transporter antigen processing-deficient cells.

    PubMed

    Lorente, Elena; Infantes, Susana; Barnea, Eilon; Beer, Ilan; Barriga, Alejandro; García-Medel, Noel; Lasala, Fátima; Jiménez, Mercedes; Admon, Arie; López, Daniel

    2013-01-01

    The transporter associated with antigen processing (TAP) translocates the cytosol-derived proteolytic peptides to the endoplasmic reticulum lumen where they complex with nascent human leukocyte antigen (HLA) class I molecules. Non-functional TAP complexes and viral or tumoral blocking of these transporters leads to reduced HLA class I surface expression and a drastic change in the available peptide repertoire. Using mass spectrometry to analyze complex human leukocyte antigen HLA-bound peptide pools isolated from large numbers of TAP-deficient cells, we identified 334 TAP-independent ligands naturally presented by four different HLA-A, -B, and -C class I molecules with very different TAP dependency from the same cell line. The repertoire of TAP-independent peptides examined favored increased peptide lengths and a lack of strict binding motifs for all four HLA class I molecules studied. The TAP-independent peptidome arose from 182 parental proteins, the majority of which yielded one HLA ligand. In contrast, TAP-independent antigen processing of very few cellular proteins generated multiple HLA ligands. Comparison between TAP-independent peptidome and proteome of several subcellular locations suggests that the secretory vesicle-like organelles could be a relevant source of parental proteins for TAP-independent HLA ligands. Finally, a predominant endoproteolytic peptidase specificity for Arg/Lys or Leu/Phe residues in the P(1) position of the scissile bond was found for the TAP-independent ligands. These data draw a new and intricate picture of TAP-independent pathways.

  18. Office of Inspector General semiannual report to Congress, October 1, 1996--March 31, 1997

    SciTech Connect

    1997-04-01

    This Office of Inspector General Semiannual Report to the Congress covers the period from October 1, 1996, through March 31, 1997. The report summarizes significant audit, inspection, and investigative accomplishments for the reporting period which facilitated Department of Energy management efforts to improve management controls and ensure efficient and effective operation of its programs. Narratives of the most significant reports are grouped by measures which the Office of Inspector General uses to gauge its performance. The common thread that ties the performance measures together is their emphasis on supporting Department efforts to produce high quality products at the lowest possible cost to the taxpayer. Five such performance measures were used during this semiannual period to present outcomes of Office of Inspector General work in terms of improvements in Department programs and operations.

  19. In situ study of the state of lysozyme molecules at the very early stage of the crystallization process by small-angle X-ray scattering

    NASA Astrophysics Data System (ADS)

    Marchenkova, M. A.; Volkov, V. V.; Blagov, A. E.; Dyakova, Yu. A.; Ilina, K. B.; Tereschenko, E. Yu.; Timofeev, V. I.; Pisarevsky, Yu. V.; Kovalchuk, M. V.

    2016-01-01

    The molecular state of hen egg white lysozyme in solution has been studied by small-angle X-ray scattering (SAXS) combined with molecular simulation. The addition of a precipitant is shown to change the state of the protein molecules in solution. The SAXS data were processed using the constructed models of different oligomers. Under the crystallization conditions, lysozyme is shown to be present in solution as monomers (96.0%), dimers (1.9%), and octamers (2.1%), whereas tetramers and hexamers are not found. The modeled structure of the octamer is not consistent with the commonly accepted unit cell containing eight lysozyme molecules. Meanwhile, the modeled octamers are well-fitted to the crystal structure and can serve as building blocks in the course of crystal growth.

  20. National Institute for Global Environmental Change. Semi-annual report, July 1, 1991--December 31, 1991

    SciTech Connect

    Werth, G.C.

    1992-04-01

    This document is the Semi-Annual Report of the National Institute for Global Environmental Change for the reporting period July 1 to December 31, 1991. The report is in two parts. Part I presents the mission of the Institute, examples of progress toward that mission, a brief description of the revised management plan, and the financial report. Part II presents the statements of the Regional Center Directors along with progress reports of the projects written by the researchers themselves.

  1. Semiannual Report to Congress on the Effectiveness of the Civil Aviation Security Program.

    DTIC Science & Technology

    1986-05-30

    and airport security measures in effect. Section V of this report provides a smry of firearms which were detected at screening points under suspicious...with the Secretary of State concerning threats, and (3) the inclusion of a sumnmary on foreign airport security in the Semiannual Report to Congress on...International Civil Aviation Organization (ICAO) to embark inediately upon an intensified program aimed at responding to the need for enhanced airport security . As

  2. Of Molecules and Models.

    ERIC Educational Resources Information Center

    Brinner, Bonnie

    1992-01-01

    Presents an activity in which models help students visualize both the DNA process and transcription. After constructing DNA, RNA messenger, and RNA transfer molecules; students model cells, protein synthesis, codons, and RNA movement. (MDH)

  3. Of Molecules and Models.

    ERIC Educational Resources Information Center

    Brinner, Bonnie

    1992-01-01

    Presents an activity in which models help students visualize both the DNA process and transcription. After constructing DNA, RNA messenger, and RNA transfer molecules; students model cells, protein synthesis, codons, and RNA movement. (MDH)

  4. Non-adiabatic processes in the charge transfer reaction of O{sub 2} molecules with potassium surfaces without dissociation

    SciTech Connect

    Krix, David; Nienhaus, Hermann

    2014-08-21

    Thin potassium films grown on Si(001) substrates are used to measure internal chemicurrents and the external emission of exoelectrons simultaneously during adsorption of molecular oxygen on K surfaces at 120 K. The experiments clarify the dynamics of electronic excitations at a simple metal with a narrow valence band. X-ray photoemission reveals that for exposures below 5 L almost exclusively peroxide K{sub 2}O{sub 2} is formed, i.e., no dissociation of the molecule occurs during interaction. Still a significant chemicurrent and a delayed exoelectron emission are detected due to a rapid injection of unoccupied molecular levels below the Fermi level. Since the valence band width of potassium is approximately equal to the potassium work function (2.4 eV) the underlying mechanism of exoemission is an Auger relaxation whereas chemicurrents are detected after resonant charge transfer from the metal valence band into the injected level. The change of the chemicurrent and exoemission efficiencies with oxygen coverage can be deduced from the kinetics of the reaction and the recorded internal and external emission currents traces. It is shown that the non-adiabaticity of the reaction increases with coverage due to a reduction of the electronic density of states at the surface while the work function does not vary significantly. Therefore, the peroxide formation is one of the first reaction systems which exhibits varying non-adiabaticity and efficiencies during the reaction. Non-adiabatic calculations based on model Hamiltonians and density functional theory support the picture of chemicurrent generation and explain the rapid injection of hot hole states by an intramolecular motion, i.e., the expansion of the oxygen molecule on the timescale of a quarter of a vibrational period.

  5. Characterization of the Antigen Processing Machinery and Endogenous Peptide Presentation of a Bat MHC Class I Molecule.

    PubMed

    Wynne, James W; Woon, Amanda P; Dudek, Nadine L; Croft, Nathan P; Ng, Justin H J; Baker, Michelle L; Wang, Lin-Fa; Purcell, Anthony W

    2016-06-01

    Bats are a major reservoir of emerging and re-emerging infectious diseases, including severe acute respiratory syndrome-like coronaviruses, henipaviruses, and Ebola virus. Although highly pathogenic to their spillover hosts, bats harbor these viruses, and a large number of other viruses, with little or no clinical signs of disease. How bats asymptomatically coexist with these viruses is unknown. In particular, little is known about bat adaptive immunity, and the presence of functional MHC molecules is mostly inferred from recently described genomes. In this study, we used an affinity purification/mass spectrometry approach to demonstrate that a bat MHC class I molecule, Ptal-N*01:01, binds antigenic peptides and associates with peptide-loading complex components. We identified several bat MHC class I-binding partners, including calnexin, calreticulin, protein disulfide isomerase A3, tapasin, TAP1, and TAP2. Additionally, endogenous peptide ligands isolated from Ptal-N*01:01 displayed a relatively broad length distribution and an unusual preference for a C-terminal proline residue. Finally, we demonstrate that this preference for C-terminal proline residues was observed in Hendra virus-derived peptides presented by Ptal-N*01:01 on the surface of infected cells. To our knowledge, this is the first study to identify endogenous and viral MHC class I ligands for any bat species and, as such, provides an important avenue for monitoring and development of vaccines against major bat-borne viruses both in the reservoir and spillover hosts. Additionally, it will provide a foundation to understand the role of adaptive immunity in bat antiviral responses. Copyright © 2016 by The American Association of Immunologists, Inc.

  6. Semiannual variability of the California Undercurrent along the Southern California Current System: A tropical generated phenomenon

    NASA Astrophysics Data System (ADS)

    Gómez-Valdivia, Felipe; Parés-Sierra, Alejandro; Laura Flores-Morales, Ana

    2017-02-01

    We used a high-resolution numerical model implementation to analyze the California Undercurrent (CU) dynamics along the Southern California Current System. In agreement with reported observations, the modeled CU was stronger during June-July and December-January, when it flowed continuously along Baja California and Southern California reaching long-term averages up to 6 cm s-1. Previous research has associated the biannual CU intensification to the local dynamics off Southern California. Our results evidenced, however, that the passage of remote Semiannual Coastal-Trapped Waves (SCTW) primarily explained the semiannual CU variability. The CU was stronger 2-3 months after the passage of the upwelling SCTW phase, when the offshore propagation of Rossby waves, brought about by the SCTW transit, induced an energetic cross-shore pressure gradient that strengthened the subsurface poleward circulation along the continental slope. The SCTW were independent of the local wind; they corresponded to the northward extension of semiannual equatorial Kelvin waves that have been observed along the northeastern tropical Pacific.

  7. Annual and semiannual variations of the geomagnetic field at equatorial locations

    NASA Astrophysics Data System (ADS)

    Campbell, W. H.

    1981-06-01

    The annual and semiannual variations of the quiet-sun year (1965) geomagnetic field are examined using geomagnetic records obtained from observatories located between about 0 and 30 deg N geomagnetic latitude. Three separate contributions are analyzed: (1) the quiet-day midnight level (MDT), (2) the solar-quiet daily variation (Sq), and (3) the quiet-time lunar semidiurnal tidal variation (L). Methods of three recent studies (Campbell, 1980a, 1980b) are used to emphasize the equatorial features, and the differences in the seasonal amplitude and phase changes, obtained from a Fourier analysis of annual and semiannual components in the three orthogonal magnetic-field directions, are illustrated. Conclusions are presented, including: (1) the equatorial MDT variations of the northward and vertical components at quiet periods seem to represent the expected seasonal nighttime magnetospheric distortions, (2) the seasonal equatorial region Sq follows closely the annual and semiannual patterns expected to be caused by ionospheric conductivity and heating variations that give rise to a dynamo current at E-region heights, and (3) the lunar seasonal variations show characteristics of dayside ionospheric electrojet origin.

  8. Origins of the semiannual variation of geomagnetic activity in 1954 and 1996

    NASA Astrophysics Data System (ADS)

    Cliver, E.; Svalgaard, L.; Ling, A.

    2004-01-01

    . We investigate the cause of the unusually strong semiannual variation of geomagnetic activity observed in the solar minimum years of 1954 and 1996. For 1996 we separate the contributions of the three classical modulation mechanisms (axial, equinoctial, and Russell-McPherron) to the six-month wave in the index and find that all three contribute about equally. This is in contrast to the longer run of geomagnetic activity (1868-1998) over which the equinoctial effect accounts for 70% of the semiannual variation. For both 1954 and 1996, we show that the Russell-McPherron effect was enhanced by the Rosenberg-Coleman effect (an axial polarity effect) which increased the amount of the negative (toward Sun) [positive (away from Sun)] polarity field observed during the first [second] half of the year; such fields yield a southward component in GSM coordinates. Because this favourable condition occurs only for alternate solar cycles, the marked semiannual variation in 1954 and 1996 is a manifestation of the 22-year cycle of geomagnetic activity. The 11-year evolution of the heliospheric current sheet (HCS) also contributes to the strong six-month wave during these years. At solar minimum, the streamer belt at the base of the HCS is located near the solar equator, permitting easier access to high speed streams from polar coronal holes when the Earth is at its highest heliographic latitudes in March and September. Such an axial variation in solar wind speed was observed for 1996 and is inferred for 1954.

  9. Integrated High Temperature Coal to Hydrogen System with CO2 Separation: Semi-Annual Progress Report 1

    SciTech Connect

    Ruud, J A; Ku, A; Ramaswamy, V; Wei, W

    2005-12-21

    This is the first semi-annual progress report for the program "Integrated High Temperature Coal to Hydrogen System with CO2 Separation." The objective of the program is to develop a detailed design for a single high-temperature syngas-cleanup module to produce a pure stream of H2 from a coal-based system and to develop the new high-temperature membrane materials at the core of that design. The novel one-box process combines a shift reactor with a high-temperature CO2-selective membrane to convert CO to CO2, remove sulfur compounds, and remove CO2 in a simple, compact, fully integrated system. In the first six months of the program, a conceptual design for the one-box system was developed in Task 1 and the performance targets for the system and the membrane were evaluated. In Task 2.1 processes were developed for creating pore architectures in ceramics that are applicable to membrane structures. In Task 2.2, candidate materials were identified that have the potential for separation of CO2 and H2S at high temperatures.

  10. Mobius Molecules

    ERIC Educational Resources Information Center

    Eckert, J. M.

    1973-01-01

    Discusses formation of chemical molecules via Mobius strip intermediates, and concludes that many special physics-chemical properties of the fully closed circular form (1) of polyoma DNA are explainable by this topological feature. (CC)

  11. Interstellar Molecules

    ERIC Educational Resources Information Center

    Solomon, Philip M.

    1973-01-01

    Radioastronomy reveals that clouds between the stars, once believed to consist of simple atoms, contain molecules as complex as seven atoms and may be the most massive objects in our Galaxy. (Author/DF)

  12. Modeling Molecules

    NASA Technical Reports Server (NTRS)

    2000-01-01

    The molecule modeling method known as Multibody Order (N) Dynamics, or MBO(N)D, was developed by Moldyn, Inc. at Goddard Space Flight Center through funding provided by the SBIR program. The software can model the dynamics of molecules through technology which stimulates low-frequency molecular motions and properties, such as movements among a molecule's constituent parts. With MBO(N)D, a molecule is substructured into a set of interconnected rigid and flexible bodies. These bodies replace the computation burden of mapping individual atoms. Moldyn's technology cuts computation time while increasing accuracy. The MBO(N)D technology is available as Insight II 97.0 from Molecular Simulations, Inc. Currently the technology is used to account for forces on spacecraft parts and to perform molecular analyses for pharmaceutical purposes. It permits the solution of molecular dynamics problems on a moderate workstation, as opposed to on a supercomputer.

  13. Interstellar Molecules

    ERIC Educational Resources Information Center

    Solomon, Philip M.

    1973-01-01

    Radioastronomy reveals that clouds between the stars, once believed to consist of simple atoms, contain molecules as complex as seven atoms and may be the most massive objects in our Galaxy. (Author/DF)

  14. Mobius Molecules

    ERIC Educational Resources Information Center

    Eckert, J. M.

    1973-01-01

    Discusses formation of chemical molecules via Mobius strip intermediates, and concludes that many special physics-chemical properties of the fully closed circular form (1) of polyoma DNA are explainable by this topological feature. (CC)

  15. Single-Molecule Imaging Reveals Aβ42:Aβ40 Ratio-Dependent Oligomer Growth on Neuronal Processes

    PubMed Central

    Johnson, Robin D.; Schauerte, Joseph A.; Chang, Chun-Chieh; Wisser, Kathleen C.; Althaus, John Christian; Carruthers, Cynthia J.L.; Sutton, Michael A.; Steel, Duncan G.; Gafni, Ari

    2013-01-01

    Soluble oligomers of the amyloid-β peptide have been implicated as proximal neurotoxins in Alzheimer’s disease. However, the identity of the neurotoxic aggregate(s) and the mechanisms by which these species induce neuronal dysfunction remain uncertain. Physiologically relevant experimentation is hindered by the low endogenous concentrations of the peptide, the metastability of Aβ oligomers, and the wide range of observed interactions between Aβ and biological membranes. Single-molecule microscopy represents one avenue for overcoming these challenges. Using this technique, we find that Aβ binds to primary rat hippocampal neurons at physiological concentrations. Although amyloid-β(1–40) as well as amyloid-β(1–42) initially form larger oligomers on neurites than on glass slides, a 1:1 mix of the two peptides result in smaller neurite-bound oligomers than those detected on-slide or for either peptide alone. With 1 nM peptide in solution, Aβ40 oligomers do not grow over the course of 48 h, Aβ42 oligomers grow slightly, and oligomers of a 1:1 mix grow substantially. Evidently, small Aβ oligomers are capable of binding to neurons at physiological concentrations and grow at rates dependent on local Aβ42:Aβ40 ratios. These results are intriguing in light of the increased Aβ42:Aβ40 ratios shown to correlate with familial Alzheimer’s disease mutations. PMID:23442968

  16. CO2 Annual and Semiannual Cycles from Satellite Retrievals and Models

    NASA Astrophysics Data System (ADS)

    Jiang, X.; Crisp, D.; Olsen, E. T.; Kulawik, S. S.; Miller, C. E.; Pagano, T. S.; Yung, Y. L.

    2014-12-01

    We have compared satellite CO2 retrievals from the Greenhouse gases Observing SATellite (GOSAT), Atmospheric Infrared Sounder (AIRS), and Tropospheric Emission Spectrometer (TES) with in-situ measurements from the Earth System Research Laboratory (NOAA-ESRL) Surface CO2 and Total Carbon Column Observing Network (TCCON), and utilized zonal means to characterize variability and distribution of CO2. In general, zonally averaged CO2 from the three satellite data sets are consistent with the surface and TCCON XCO2 data. Retrievals of CO2 from the three satellites show more (less) CO2 in the northern hemisphere than that in the southern hemisphere in the northern hemispheric winter (summer) season. The difference between the three satellite CO2 retrievals might be related to the different averaging kernels in the satellites CO2 retrievals. A multiple regression method was used to calculate the CO2 annual cycle and semiannual cycle amplitudes from different satellite CO2 retrievals. The CO2 annual cycle and semiannual cycle amplitudes are largest at the surface, as seen in the NOAA-ESRL CO2 data sets. The CO2 annual cycle and semiannual cycle amplitudes in the GOSAT XCO2, AIRS mid-tropospheric CO2, and TES mid-tropospheric CO2 are smaller compared with those from the surface CO2. Similar regression analysis was applied to the Model for OZone And Related chemical Tracers-2 (MOZART-2) and CarbonTracker model CO2. The convolved model CO2 annual cycle and semiannual cycle amplitudes are similar to those from the satellite CO2 retrievals, although the model tends to under-estimate the CO2 seasonal cycle amplitudes in the northern hemisphere mid-latitudes from the comparison with GOSAT and TES CO2 and underestimate the CO2 semi-annual cycle amplitudes in the high latitudes from the comparison with AIRS CO2. The difference between model and satellite CO2 can be used to identify possible deficiency in the model and improve the model in the future.

  17. Enumerating molecules.

    SciTech Connect

    Visco, Donald Patrick, Jr.; Faulon, Jean-Loup Michel; Roe, Diana C.

    2004-04-01

    This report is a comprehensive review of the field of molecular enumeration from early isomer counting theories to evolutionary algorithms that design molecules in silico. The core of the review is a detail account on how molecules are counted, enumerated, and sampled. The practical applications of molecular enumeration are also reviewed for chemical information, structure elucidation, molecular design, and combinatorial library design purposes. This review is to appear as a chapter in Reviews in Computational Chemistry volume 21 edited by Kenny B. Lipkowitz.

  18. Higher-order processes of excitation energy transfer in supramolecular complexes: Liouville space analysis of bridge molecule mediated transfer and direct photon exchange.

    PubMed

    May, Volkhard

    2008-09-21

    Long-range electronic excitation energy transfer is studied in the framework of a generalized master equation approach, which offers a systematic account for higher-order processes. Bridge molecule mediated transfer is confronted with the direct excitation energy exchange via photon emission and absorption. It is the central aim of this paper to present a systematic study of fourth-order rates, which describe both types of transfer processes characterized by the presence of intermediate states. While such a Liouville space formulation of rates is known from bridge mediated transfer, it is new for the case of photon mediated processes. In the former case, however, a novel approach to account for intermediate state relaxation is introduced. Finally and for illustration, some estimates are offered for the length dependence of the various discussed transfer rates.

  19. HANFORD SITE AIR OPERATING PERMIT SEMIANNUAL REPORT FOR THE PERIOD 07/01/2004 THRU 12/31/2004

    SciTech Connect

    GREEN, W.E.

    2005-01-19

    The Hanford Site Air Operating Permit (AOP), Number 00-05-006, became effective on July 2, 2001. One condition contained in the AOP, ''Standard Terms and Conditions'', Section 4.3.3, is the requirement to submit semiannual reports by March 15th and September 15th each year, which are certified for truth, accuracy, and completeness by a Responsible Official. This semiannual report contains information from July 1, 2004 through December 31, 2004. Copies of semiannual reports are transmitted to the Washington State Department of Ecology (Ecology). the Washington State Department of Health (WDOH), the Benton Clean Air Authority (BCAA), and the US Environmental Protection Agency (EPA), Region 10. For the applicable reporting period, AOP, ''Standard Terms and Conditions'', Section 4.3.3, as amended in August 2002 and December 2002, identifies the following. (1) Each semiannual report will provide a reference to deviation reports submitted to the regulatory agencies as required by Section 4.5. ''Permit Deviation Reporting''. (2) Each semiannual report will consist of reports of any required monitoring not submitted previously to the agencies or a reference to reports of required monitoring submitted during the reporting period. (3) Each semiannual report will contain a summary of any substantiated air emission complaint investigation(s) required in Table 1.2 of AOP, Attachment 1, and issued during the reporting period. (4) For all minor radioactive emission points (potential to emit <0.1 mrem to the maximally exposed individual) listed in AOP, Attachment 2. Tables 1.2. 1.3, and 2.1, each semiannual report will confirm that any required monitoring was conducted to verify low emissions during the reporting period. Data derived from that monitoring will be reported in the Annual National Emission Standards for Hazardous Air Pollutants (NESHAP) Report (AOP, ''Standard Terms and Conditions'', Section 4.3.1). AOP requirement is for annual monitoring (e.g., four 1 week samples

  20. Development of a Sample Processing System (SPS) for the in situ search of organic compounds on Mars : application to the Mars Organic Molecule Analyzer (MOMA) experiment

    NASA Astrophysics Data System (ADS)

    Buch, A.; Sternberg, R.; Garnier, C.; Fressinet, C.; Szopa, C.; El Bekri, J.; Coll, P.; Rodier, C.; Raulin, F.; Goesmann, F.

    2008-09-01

    The search for past or present life signs is one of the primary goals of the future Mars exploratory missions. With this aim the Mars Organic Molecule Analyzer (MOMA) module of the ExoMars 2013 next coming European space mission is designed to the in situ analysis, in the Martian soil, of organic molecules of exobiological interest such as amino acids, carboxylic acids, nucleobases or polycyclic aromatic hydrocarbons (PAHs). In the frame of the MOMA experiment we have been developing a Sample Processing System (SPS) compatible with gas chromatography (GC) analysis. The main goal of SPS is to allow the extraction and the gas chromatography separation of the refractory organic compounds from a solid matrix at trace level within space compatible operating conditions. The SPS is a mini-reactor, containing the solid sample (~500mg), able to increase (or decrease) the internal temperature from 20 to 500 °C within 13 sec. The extraction step is therefore performed by using thermodesorption, the best yield of extraction being obtained at 300°C for 10 to 20 min. It has to be noticed that the temperature could be increased up to 500°C without a significant lost of efficiency if the heating run time is kept below 3 min. After the thermodesorption the chemical derivatization of the extracted compounds is performed directly on the soil with a mixture of MTBSTFA and DMF [buch et al.]. By decreasing the polarity of the target molecules, this step allows their volatilization at a temperature below 250°C without any chemical degradation. Once derivatized, the targeted volatile molecules are transferred through a heated transfer line in the gas chromatograph coupled with a mass spectrometer for the detection. The SPS is a "one step/one pot" sample preparation system which should allow the MOMA experiment to detect the refractory molecules absorbed in the Martian soil at a detection limit below the ppb level. A. Buch, R. Sternberg, C. Szopa, C. Freissinet, C. Garnier, J. El Bekri

  1. Solar Rotational Periodicities and the Semiannual Variation in the Solar Wind, Radiation Belt, and Aurora

    NASA Technical Reports Server (NTRS)

    Emery, Barbara A.; Richardson, Ian G.; Evans, David S.; Rich, Frederick J.; Wilson, Gordon R.

    2011-01-01

    The behavior of a number of solar wind, radiation belt, auroral and geomagnetic parameters is examined during the recent extended solar minimum and previous solar cycles, covering the period from January 1972 to July 2010. This period includes most of the solar minimum between Cycles 23 and 24, which was more extended than recent solar minima, with historically low values of most of these parameters in 2009. Solar rotational periodicities from S to 27 days were found from daily averages over 81 days for the parameters. There were very strong 9-day periodicities in many variables in 2005 -2008, triggered by recurring corotating high-speed streams (HSS). All rotational amplitudes were relatively large in the descending and early minimum phases of the solar cycle, when HSS are the predominant solar wind structures. There were minima in the amplitudes of all solar rotational periodicities near the end of each solar minimum, as well as at the start of the reversal of the solar magnetic field polarity at solar maximum (approx.1980, approx.1990, and approx. 2001) when the occurrence frequency of HSS is relatively low. Semiannual equinoctial periodicities, which were relatively strong in the 1995-1997 solar minimum, were found to be primarily the result of the changing amplitudes of the 13.5- and 27-day periodicities, where 13.5-day amplitudes were better correlated with heliospheric daily observations and 27-day amplitudes correlated better with Earth-based daily observations. The equinoctial rotational amplitudes of the Earth-based parameters were probably enhanced by a combination of the Russell-McPherron effect and a reduction in the solar wind-magnetosphere coupling efficiency during solstices. The rotational amplitudes were cross-correlated with each other, where the 27 -day amplitudes showed some of the weakest cross-correlations. The rotational amplitudes of the > 2 MeV radiation belt electron number fluxes were progressively weaker from 27- to 5-day periods

  2. Solar Rotational Periodicities and the Semiannual Variation in the Solar Wind, Radiation Belt, and Aurora

    NASA Technical Reports Server (NTRS)

    Emery, Barbara A.; Richardson, Ian G.; Evans, David S.; Rich, Frederick J.; Wilson, Gordon R.

    2011-01-01

    The behavior of a number of solar wind, radiation belt, auroral and geomagnetic parameters is examined during the recent extended solar minimum and previous solar cycles, covering the period from January 1972 to July 2010. This period includes most of the solar minimum between Cycles 23 and 24, which was more extended than recent solar minima, with historically low values of most of these parameters in 2009. Solar rotational periodicities from S to 27 days were found from daily averages over 81 days for the parameters. There were very strong 9-day periodicities in many variables in 2005 -2008, triggered by recurring corotating high-speed streams (HSS). All rotational amplitudes were relatively large in the descending and early minimum phases of the solar cycle, when HSS are the predominant solar wind structures. There were minima in the amplitudes of all solar rotational periodicities near the end of each solar minimum, as well as at the start of the reversal of the solar magnetic field polarity at solar maximum (approx.1980, approx.1990, and approx. 2001) when the occurrence frequency of HSS is relatively low. Semiannual equinoctial periodicities, which were relatively strong in the 1995-1997 solar minimum, were found to be primarily the result of the changing amplitudes of the 13.5- and 27-day periodicities, where 13.5-day amplitudes were better correlated with heliospheric daily observations and 27-day amplitudes correlated better with Earth-based daily observations. The equinoctial rotational amplitudes of the Earth-based parameters were probably enhanced by a combination of the Russell-McPherron effect and a reduction in the solar wind-magnetosphere coupling efficiency during solstices. The rotational amplitudes were cross-correlated with each other, where the 27 -day amplitudes showed some of the weakest cross-correlations. The rotational amplitudes of the > 2 MeV radiation belt electron number fluxes were progressively weaker from 27- to 5-day periods

  3. Encapsulation of protein molecules in transparent porous silica matrices via an aqueous colloidal sol-gel process

    SciTech Connect

    Liu, D.M.; Chen, I.W.

    1999-12-10

    Encapsulation of several biologically important proteins, cytochrome c, catalase, myoglobin, and hemoglobin, into transparent porous silica matrices by an aqueous colloidal sol-gel process that requires no alcohol is reported. Optical characterization indicates a successful retention of protein conformation after encapsulation. The conformation retention is strongly correlated to both the rate of gelation and the subsequent drying speed. Using hemoglobin as a model protein, a higher colloidal solid concentration and a lower synthesis pH were found, both causing faster gelation, resulting in a better retention of conformation. Hemoglobin encapsulated in a thin film, which dries faster, also showed a better retention than in the bulk. This is attributed to the fact that when a protein is isolated, and especially when it is confined to a space close to its own dimensions, conformational changes are sterically hindered, hence the structural stability. Enzymatic activity of bovine liver catalase was also monitored and showed a remarkable improvement when encapsulated using the aqueous colloidal process, compared to using the conventional alkoxide-based process. Thus, the aqueous colloidal sol-gel process offers a promising alternative to the conventional sol-gel process for encapsulating biomolecules into transparent, porous matrices.

  4. A spray-coating process for highly conductive silver nanowire networks as the transparent top-electrode for small molecule organic photovoltaics

    NASA Astrophysics Data System (ADS)

    Selzer, Franz; Weiß, Nelli; Kneppe, David; Bormann, Ludwig; Sachse, Christoph; Gaponik, Nikolai; Eychmüller, Alexander; Leo, Karl; Müller-Meskamp, Lars

    2015-01-01

    We present a novel top-electrode spray-coating process for the solution-based deposition of silver nanowires (AgNWs) onto vacuum-processed small molecule organic electronic solar cells. The process is compatible with organic light emitting diodes (OLEDs) and organic light emitting thin film transistors (OLETs) as well. By modifying commonly synthesized AgNWs with a perfluorinated methacrylate, we are able to disperse these wires in a highly fluorinated solvent. This solvent does not dissolve most organic materials, enabling a top spray-coating process for sensitive small molecule and polymer-based devices. The optimized preparation of the novel AgNW dispersion and spray-coating at only 30 °C leads to high performance electrodes directly after the deposition, exhibiting a sheet resistance of 10.0 Ω □-1 at 87.4% transparency (80.0% with substrate). By spraying our novel AgNW dispersion in air onto the vacuum-processed organic p-i-n type solar cells, we obtain working solar cells with a power conversion efficiency (PCE) of 1.23%, compared to the air exposed reference devices employing thermally evaporated thin metal layers as the top-electrode.We present a novel top-electrode spray-coating process for the solution-based deposition of silver nanowires (AgNWs) onto vacuum-processed small molecule organic electronic solar cells. The process is compatible with organic light emitting diodes (OLEDs) and organic light emitting thin film transistors (OLETs) as well. By modifying commonly synthesized AgNWs with a perfluorinated methacrylate, we are able to disperse these wires in a highly fluorinated solvent. This solvent does not dissolve most organic materials, enabling a top spray-coating process for sensitive small molecule and polymer-based devices. The optimized preparation of the novel AgNW dispersion and spray-coating at only 30 °C leads to high performance electrodes directly after the deposition, exhibiting a sheet resistance of 10.0 Ω □-1 at 87

  5. 2-Alkyl-5-thienyl-substituted benzo[1,2-b:4,5-b']dithiophene-based donor molecules for solution-processed organic solar cells.

    PubMed

    Patra, Dhananjaya; Huang, Tzu-Yen; Chiang, Chao-Cheng; Maturana, Ramon Orlando Valencia; Pao, Chun-Wei; Ho, Kuo-Chuan; Wei, Kung-Hwa; Chu, Chih-Wei

    2013-10-09

    In this study, we have strategically designed and convergently synthesized two novel, symmetrical, and linear A-D-A-type π-conjugated donor molecules (TBDTCNR, TBDTCN), each containing a planar electron-rich 2-octylthiene-5-yl-substituted benzodithiophene (TBDT) unit as the core, flanked by octylthiophene units and end-capped with electron-deficient cyanoacetate (CNR) or dicyanovinyl (CN) units. We thoroughly characterized both of these materials and investigated the effects of the end groups (CNR, CN) on their optical, electrochemical, morphological, and photovoltaic properties. We then fabricated solution-processed bulk heterojunction organic solar cells incorporating TBDTCNR and TBDTCN. Among our tested devices, the one containing TBDTCNR and [6,6]-phenyl-C61-butyric acid methyl ester in a 1:0.40 ratio (w/w) exhibited the highest power conversion efficiency (5.42%) with a short-circuit current density (Jsc) of 9.08 mA cm(-2), an open circuit voltage (Voc) of 0.90 V, and an impressive fill factor (FF) of 0.66 under AM 1.5G irradiation (100 mW cm(-2)). The FFs of these solution-processed small-molecule organic solar cells (SMOSCs) are outstanding when compared with those recently reported for benzodithiophene (BDT)-based SMOSCs, because of the high crystallinity and excellent stacking properties of the TBDT-based compounds.

  6. Estimating equilibrium ensemble averages using multiple time slices from driven nonequilibrium processes: theory and application to free energies, moments, and thermodynamic length in single-molecule pulling experiments.

    PubMed

    Minh, David D L; Chodera, John D

    2011-01-14

    Recently discovered identities in statistical mechanics have enabled the calculation of equilibrium ensemble averages from realizations of driven nonequilibrium processes, including single-molecule pulling experiments and analogous computer simulations. Challenges in collecting large data sets motivate the pursuit of efficient statistical estimators that maximize use of available information. Along these lines, Hummer and Szabo developed an estimator that combines data from multiple time slices along a driven nonequilibrium process to compute the potential of mean force. Here, we generalize their approach, pooling information from multiple time slices to estimate arbitrary equilibrium expectations. Our expression may be combined with estimators of path-ensemble averages, including existing optimal estimators that use data collected by unidirectional and bidirectional protocols. We demonstrate the estimator by calculating free energies, moments of the polymer extension, the thermodynamic metric tensor, and the thermodynamic length in a model single-molecule pulling experiment. Compared to estimators that only use individual time slices, our multiple time-slice estimators yield substantially smoother estimates and achieve lower variance for higher-order moments.

  7. New benzo[1,2-b:4,5-b']dithiophene-based small molecules containing alkoxyphenyl side chains for high efficiency solution-processed organic solar cells.

    PubMed

    Du, Zhengkun; Chen, Weichao; Wen, Shuguang; Qiao, Shanlin; Liu, Qian; Ouyang, Dan; Wang, Ning; Bao, Xichang; Yang, Renqiang

    2014-12-01

    A new acceptor-donor-acceptor (A-D-A) small molecule, namely, BDT-PO-DPP, based on the alkoxyphenyl (PO)-substituted benzo[1,2-b:4,5-b']dithiophene (BDT) derivative and the diketopyrrolopyrrole (DPP) unit was synthesized as an electron donor for solution-processed small-molecule organic solar cells (SMOSCs). BDT-PO-DPP exhibited good thermal stability, with a 5 % weight-lost temperature at 401 °C under a nitrogen atmosphere. BDT-PO-DPP exhibited a lower HOMO energy level of -5.25 eV and a weaker aggregation ability than alkoxy-substituted BDT-O-DPP. A bulk heterojunction SMOSC device based on BDT-PO-DPP and [6,6]-phenyl-C61 -butyric acid methyl ester was prepared, and it showed a power conversion efficiency up to 5.63% with a high open-circuit voltage of 0.83 V, a short circuit current density of 11.23 mA cm(-2) , and a fill factor of 60.37% by using 1,2-dichlorobenzene as the co-solvent after thermal annealing at 110 °C. The results indicate that the alkoxyphenyl-substituted BDT derivative is a promising electron-donor building block for constructing highly efficient solution-processed SMOSCs.

  8. Multiple Viral Ligands Naturally Presented by Different Class I Molecules in Transporter Antigen Processing-Deficient Vaccinia Virus-Infected Cells

    PubMed Central

    Lorente, Elena; Infantes, Susana; Barnea, Eilon; Beer, Ilan; García, Ruth; Lasala, Fátima; Jiménez, Mercedes; Vilches, Carlos; Lemonnier, François A.; Admon, Arie

    2012-01-01

    The transporter associated with antigen processing (TAP) delivers the viral proteolytic products generated by the proteasome in the cytosol to the endoplasmic reticulum lumen that are subsequently recognized by cytotoxic T lymphocytes (CTLs). However, several viral epitopes have been identified in TAP-deficient models. Using mass spectrometry to analyze complex human leukocyte antigen (HLA)-bound peptide pools isolated from large numbers of TAP-deficient vaccinia virus-infected cells, we identified 11 ligands naturally presented by four different HLA-A, HLA-B, and HLA-C class I molecules. Two of these ligands were presented by two different HLA class I alleles, and, as a result, 13 different HLA-peptide complexes were formed simultaneously in the same vaccinia virus-infected cells. In addition to the high-affinity ligands, one low-affinity peptide restricted by each of the HLA-A, HLA-B, and HLA-C class I molecules was identified. Both high- and low-affinity ligands generated long-term memory CTL responses to vaccinia virus in an HLA-A2-transgenic mouse model. The processing and presentation of two vaccinia virus-encoded HLA-A2-restricted antigens took place via proteasomal and nonproteasomal pathways, which were blocked in infected cells with chemical inhibitors specific for different subsets of metalloproteinases. These data have implications for the study of the effectiveness of early empirical vaccination with cowpox virus against smallpox disease. PMID:22031944

  9. Negative ions of polyatomic molecules.

    PubMed

    Christophorou, L G

    1980-06-01

    In this paper general concepts relating to, and recent advances in, the study of negative ions of polyatomic molecules area discussed with emphasis on halocarbons. The topics dealt with in the paper are as follows: basic electron attachment processes, modes of electron capture by molecules, short-lived transient negative ions, dissociative electron attachment to ground-state molecules and to "hot" molecules (effects of temperature on electron attachment), parent negative ions, effect of density, nature, and state of the medium on electron attachment, electron attachment to electronically excited molecules, the binding of attached electrons to molecules ("electron affinity"), and the basic and the applied significance of negative-ion studies.

  10. Nonperturbative treatment of multielectron processes in ion-molecule scattering: Application to He{sup 2+}-H{sub 2} collisions

    SciTech Connect

    Sisourat, Nicolas; Dubois, Alain; Pilskog, Ingjald

    2011-11-15

    We present a nonperturbative theory to describe multielectronic processes occurring in the course of collisions between an ion and a molecule. The approach is based on the expansion of the electronic scattering wave function onto asymptotic mono- or multicenter states with proper translational conditions and includes both static and dynamical electronic correlations. Therefore, it has a wide application range around intermediate impact velocities v{approx_equal}v{sub e}, where v{sub e} is the averaged electron velocity in the initial state. As a first application, we report results on single- and double-electron capture processes in He{sup 2+}-H{sub 2} collisions for impact energies ranging from 0.01 to 25 keV/u. Special emphasis on the prediction of cross sections for double-electron capture into doubly excited states of helium is addressed.

  11. Hanford Site Air Operating Permit Semiannual Report for the period July 21 2001 Thru December 31 2001

    SciTech Connect

    GREEN, W.E.

    2002-02-01

    The Hanford Site Air Operating Permit (AOP), Number 00-05-006, became effective on July 2, 2001. One condition contained in the AOP, ''Standard Terms and Conditions'', Section 4.3.3, is the requirement to submit semiannual reports by March 15th and August 15th each year, which are certified for truth and accuracy by a Responsible Official. This first semiannual report contains information for the period from July 2, 2001 through December 31, 2001. Hereafter, the March 15th semiannual report will contain information for the period from July 1 through December 31. The semiannual report submitted by August 15th will contain information for the period from January 1 through June 30. Copies of the semiannual reports are transmitted to the Washington State Department of Ecology (Ecology), the Washington State Department of Health (WDOH), the Benton Clean Air Authority (BCAA), and the U.S. Environmental Protection Agency (EPA), Region 10. For the applicable reporting period, AOP, ''Standard Terms and Conditions'', Section 4.3.3, identifies the following: (1) Each semiannual report will provide a reference to deviation reports submitted to the regulatory agencies as required by Section 4.5, ''Permit Deviation Reporting''. (2) Each semiannual report will consist of reports of any required monitoring not submitted previously to the agencies or a reference to reports of required monitoring that were submitted during the reporting period. (3) Each semiannual report will contain a summary of any substantiated air emission complaint investigation(s) required in Table 1.2 of AOP, Attachment 1, and issued during the reporting period (4) For all minor radioactive emission points (potential to emit <0.1 mrem to the maximally exposed individual) listed in AOP, Attachment 2. Tables 1.2, 1.3 and 2.1. each semiannual report will confirm that any required monitoring was conducted to verify low emissions during the reporting period. The data derived from that monitoring will be reported

  12. Single-molecule Imaging Analysis of Binding, Processive Movement, and Dissociation of Cellobiohydrolase Trichoderma reesei Cel6A and Its Domains on Crystalline Cellulose.

    PubMed

    Nakamura, Akihiko; Tasaki, Tomoyuki; Ishiwata, Daiki; Yamamoto, Mayuko; Okuni, Yasuko; Visootsat, Akasit; Maximilien, Morice; Noji, Hiroyuki; Uchiyama, Taku; Samejima, Masahiro; Igarashi, Kiyohiko; Iino, Ryota

    2016-10-21

    Trichoderma reesei Cel6A (TrCel6A) is a cellobiohydrolase that hydrolyzes crystalline cellulose into cellobiose. Here we directly observed the reaction cycle (binding, surface movement, and dissociation) of single-molecule intact TrCel6A, isolated catalytic domain (CD), cellulose-binding module (CBM), and CBM and linker (CBM-linker) on crystalline cellulose Iα The CBM-linker showed a binding rate constant almost half that of intact TrCel6A, whereas those of the CD and CBM were only one-tenth of intact TrCel6A. These results indicate that the glycosylated linker region largely contributes to initial binding on crystalline cellulose. After binding, all samples showed slow and fast dissociations, likely caused by the two different bound states due to the heterogeneity of cellulose surface. The CBM showed much higher specificity to the high affinity site than to the low affinity site, whereas the CD did not, suggesting that the CBM leads the CD to the hydrophobic surface of crystalline cellulose. On the cellulose surface, intact molecules showed slow processive movements (8.8 ± 5.5 nm/s) and fast diffusional movements (30-40 nm/s), whereas the CBM-Linker, CD, and a catalytically inactive full-length mutant showed only fast diffusional movements. These results suggest that both direct binding and surface diffusion contribute to searching of the hydrolysable point of cellulose chains. The duration time constant for the processive movement was 7.7 s, and processivity was estimated as 68 ± 42. Our results reveal the role of each domain in the elementary steps of the reaction cycle and provide the first direct evidence of the processive movement of TrCel6A on crystalline cellulose.

  13. EOMCC, MRPT, and TDDFT studies of charge transfer processes in mixed-valence compounds: application to the spiro molecule.

    PubMed

    Glaesemann, Kurt R; Govind, Niranjan; Krishnamoorthy, Sriram; Kowalski, Karol

    2010-08-26

    The proper description of electron transfer (ET) processes in mixed-valence compounds poses a significant challenge for commonly used theoretical approaches. In this paper we analyze the 1(2)A(2) and 2(2)A(2) potential energy surfaces of the Spiro cation (5,5'(4H,4H')-spirobi[cyclopenta[c]pyrrole]2,2',6,6'-tetrahydro cation) which is a frequently used model to study ET processes. We compare and contrast the results obtained with three different methods: multireference perturbation theory, equation-of-motion coupled cluster theory, time-dependent density functional theory. We demonstrate that the proper inclusion of dynamical correlation effects plays a crucial role in the description of an avoided crossing between potential energy surfaces. We also find that proper balancing of the ground- and excited-state correlation effects is especially challenging in the vicinity of the 1(2)A(2) and 2(2)A(2) avoided crossing region.

  14. A simple, rapid and cost-effective process for production of latex clearing protein to produce oligopolyisoprene molecules.

    PubMed

    Andler, R; Steinbüchel, A

    2017-01-10

    Aiming at finding feasible alternatives for rubber waste disposal, the partial enzymatic degradation of poly(cis-1,4-isoprene)-containing materials represents a potential solution. The use of rubber-degrading enzymes and the biotransformation of rubber into new materials is limited by the high costs associated with the production and purification of the enzyme and the complexity of the process. This study presents a simple and low-cost procedure to obtain purified latex clearing protein (Lcp), an enzyme capable of cleaving the double bonds of poly(cis-1,4-isoprene) in presence of oxygen to produce different size of oligomers with terminal aldehyde and ketone groups, respectively. The gene coding for Lcp1VH2 from Gordonia polyisoprenivorans strain VH2 was overexpressed in Escherichia coli C41 (DE3), and by using an auto-induction medium high protein yields were obtained. The cultivation process was described and compared with an IPTG-inducible medium previously used. Purification of the enzyme was performed using salting out precipitation with ammonium sulfate. Different salt concentrations and pH were tested in order to find the optimal for purification, obtaining a concentration of 60mg Lcp per l. The enzymatic activity of the purified enzyme was measured by an oxygen consumption assay in the presence of polyisoprene latex. Volumetric activities of 0.16Uml(-1) were obtained at optimal conditions of temperature and pH. The results showed an active and partial purified fraction of Lcp1VH2, able to cleave the backbone of poly(cis-1,4-isoprene) and to produce degradation products that were identified with staining methodologies (Schiff reagent for aldehyde groups and 2,4-DNPH for carbonyl groups) and characterized using nuclear magnetic resonance (NMR). Thirteen different storage conditions were tested for the purified enzyme analyzing the enzymatic activity after 1 and 3 months. Lcp1VH2, as an ammonium sulfate precipitate, was stable, easy to handle and sufficiently

  15. Diversity in Biological Molecules

    ERIC Educational Resources Information Center

    Newbury, H. John

    2010-01-01

    One of the striking characteristics of fundamental biological processes, such as genetic inheritance, development and primary metabolism, is the limited amount of variation in the molecules involved. Natural selective pressures act strongly on these core processes and individuals carrying mutations and producing slightly sub-optimal versions of…

  16. Diversity in Biological Molecules

    ERIC Educational Resources Information Center

    Newbury, H. John

    2010-01-01

    One of the striking characteristics of fundamental biological processes, such as genetic inheritance, development and primary metabolism, is the limited amount of variation in the molecules involved. Natural selective pressures act strongly on these core processes and individuals carrying mutations and producing slightly sub-optimal versions of…

  17. From the solution processing of hydrophilic molecules to polymer-phthalocyanine hybrid materials for ammonia sensing in high humidity atmospheres.

    PubMed

    Gaudillat, Pierre; Jurin, Florian; Lakard, Boris; Buron, Cédric; Suisse, Jean-Moïse; Bouvet, Marcel

    2014-07-24

    We have prepared different hybrid polymer-phthalocyanine materials by solution processing, starting from two sulfonated phthalocyanines, s-CoPc and CuTsPc, and polyvinylpyrrolidone (PVP), polyethylene glycol (PEG), poly(acrylic acid-co-acrylamide) (PAA-AM), poly(diallyldimethylammonium chloride) (PDDA) and polyaniline (PANI) as polymers. We also studied the response to ammonia (NH3) of resistors prepared from these sensing materials. The solvent casted films, prepared from s-CoPc and PVP, PEG and PAA-AM, were highly insulating and very sensitive to the relative humidity (RH) variation. The incorporation of s-CoPc in PDDA by means of layer-by-layer (LBL) technique allowed to stabilize the film, but was too insulating to be interesting. We also prepared PANI-CuTsPc hybrid films by LBL technique. It allowed a regular deposition as evidenced by the linear increase of the absorbance at 688 nm as a function of the number of bilayers. The sensitivity to ammonia (NH3) of PANi-CuTsPc resistors was very high compared to that of individual materials, giving up to 80% of current decrease when exposed to 30 ppm NH3. Contrarily to what happens with neutral polymers, in PANI, CuTsPc was stabilized by strong electrostatic interactions, leading to a stable response to NH3, whatever the relative humidity in the range 10%-70%. Thus, the synergy of PANI with ionic macrocycles used as counteranions combined with their simple aqueous solution processing opens the way to the development of new gas sensors capable of operating in real world conditions.

  18. From the Solution Processing of Hydrophilic Molecules to Polymer-Phthalocyanine Hybrid Materials for Ammonia Sensing in High Humidity Atmospheres

    PubMed Central

    Gaudillat, Pierre; Jurin, Florian; Lakard, Boris; Buron, Cédric; Suisse, Jean-Moïse; Bouvet, Marcel

    2014-01-01

    We have prepared different hybrid polymer-phthalocyanine materials by solution processing, starting from two sulfonated phthalocyanines, s-CoPc and CuTsPc, and polyvinylpyrrolidone (PVP), polyethylene glycol (PEG), poly(acrylic acid-co-acrylamide) (PAA-AM), poly(diallyldimethylammonium chloride) (PDDA) and polyaniline (PANI) as polymers. We also studied the response to ammonia (NH3) of resistors prepared from these sensing materials. The solvent casted films, prepared from s-CoPc and PVP, PEG and PAA-AM, were highly insulating and very sensitive to the relative humidity (RH) variation. The incorporation of s-CoPc in PDDA by means of layer-by-layer (LBL) technique allowed to stabilize the film, but was too insulating to be interesting. We also prepared PANI-CuTsPc hybrid films by LBL technique. It allowed a regular deposition as evidenced by the linear increase of the absorbance at 688 nm as a function of the number of bilayers. The sensitivity to ammonia (NH3) of PANi-CuTsPc resistors was very high compared to that of individual materials, giving up to 80% of current decrease when exposed to 30 ppm NH3. Contrarily to what happens with neutral polymers, in PANI, CuTsPc was stabilized by strong electrostatic interactions, leading to a stable response to NH3, whatever the relative humidity in the range 10%–70%. Thus, the synergy of PANI with ionic macrocycles used as counteranions combined with their simple aqueous solution processing opens the way to the development of new gas sensors capable of operating in real world conditions. PMID:25061841

  19. Formation of hexagonal boron nitride nanoscrolls induced by inclusion and exclusion of self-assembling molecules in solution process

    NASA Astrophysics Data System (ADS)

    Hwang, Da Young; Suh, Dong Hack

    2014-05-01

    Unlike nanoscrolls of 2D graphene, those of 2D h-BN have not been demonstrated, except for only a few experimental reports. Nanoscrolls of h-BN with high yields and reproducibility are first synthesized by a simple solution process. Inner-tube diameters of BNSs including LCAs, N-(2-aminoethyl)-3α-hydroxy-5β-cholan-24-amide, a bile acid derivative and self-assembling material, can be controlled by adjusting the diameter of the LCA fiber which is grown by self-assembly. TEM and SEM images show that BNSs have a tube-like morphology and the inner-tube diameter of BNSs can be controlled in the range from 20 to 60 nm for a smaller diameter, up to 300 nm for a larger diameter by LCA fiber growth inside the BNSs. Finally, open cylindrical BNSs with hollow cores were obtained by dissolving LCAs inside BNSs.Unlike nanoscrolls of 2D graphene, those of 2D h-BN have not been demonstrated, except for only a few experimental reports. Nanoscrolls of h-BN with high yields and reproducibility are first synthesized by a simple solution process. Inner-tube diameters of BNSs including LCAs, N-(2-aminoethyl)-3α-hydroxy-5β-cholan-24-amide, a bile acid derivative and self-assembling material, can be controlled by adjusting the diameter of the LCA fiber which is grown by self-assembly. TEM and SEM images show that BNSs have a tube-like morphology and the inner-tube diameter of BNSs can be controlled in the range from 20 to 60 nm for a smaller diameter, up to 300 nm for a larger diameter by LCA fiber growth inside the BNSs. Finally, open cylindrical BNSs with hollow cores were obtained by dissolving LCAs inside BNSs. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr00897a

  20. A strategically designed small molecule attacks alpha-ketoglutarate dehydrogenase in tumor cells through a redox process

    PubMed Central

    2014-01-01

    Background Targeting cancer cell metabolism is recognized as a promising arena for development of cancer chemotherapeutics. Moreover, redox metabolism is also systematically altered in tumor cells. Indeed, there is growing reason to believe that tumor-specific alteration of redox control of metabolism will be central to understanding and attacking malignancy. We report here that lipoate analog CPI-613 attacks a gate-keeping, lipoate-using metabolic enzyme, alpha-ketoglutarate dehydrogenase (KGDH), by a redox mechanism selectively in tumors cells. Results CPI-613 inhibited KGDH function strongly and rapidly, selectively in tumor cells. Moreover, CPI-613 induced a correspondingly rapid, powerful redox signal in tumor cell mitochondria. This signal was associated with redox modification of KGDH (including extensive enzyme glutathionylation and redox blockage of enzyme lipoate sulfhydryls), correlating with KGDH inactivation. The source of this tumor-specific mitochondrial redox modulatory signal was not electron transport complexes (I or III), but was largely or entirely the E3 (dihydrolipoamide dehydrogenase) component of dehydrogenases, including KGDH. Finally, we demonstrated that KGDH activity was redox regulated (in tumor cells), as expected if a tumor-specific redox process (auto)regulates KGDH. Conclusions Our data demonstrate that lipoate analog CPI-613 attacks redox control of KGDH activity in tumor cells, perhaps by modulation of an existing lipoate-sensitive allosteric process normally governing tumor cell KGDH activity. Together with its previously reported, mechanistically distinct (non-redox) effects on the other major, lipoate-using mitochondrial metabolic enzyme, pyruvate dehydrogenase, CPI-613’s KGDH effects indicate that this agent simultaneously attacks multiple central, essential components of tumor cell metabolic regulation. PMID:24612826

  1. Randomized Equivalence Trial of Intensive and Semiannual Applications of Fluoride Varnish in the Primary Dentition

    PubMed Central

    Weinstein, P.; Spiekerman, C.; Milgrom, P.

    2009-01-01

    For children in the primary dentition with high caries prevalence the standard semiannual application of fluoride varnish may not be successful in preventing tooth decay. Oftentimes this population is mobile and does not receive consistent preventive care. This trial tested whether an intensive fluoride 5% sodium varnish regimen (three applications/2 weeks) applied annually has an equivalent effect on caries progression in the primary dentition compared to single applications applied semiannually. This study was a randomized clinical trial with two treatment groups. All participants (n = 600; mean age ± SD = 55.3 ± 4.6 months) received three varnish applications (active varnish or placebo) at semiannual visits over 3 years. Once per year the intensive-treatment group received one set of three active treatments and three placebo treatments 6 months later, each time within 2 weeks. The standard group received one active and two placebo treatments every 6 months. Children were assessed clinically at baseline and 12, 24 and 36 months after the initiation of the study. The mean (SD) numbers of newly decayed primary tooth surfaces observed over 3 years were 9.8 (8.6) and 7.4 (7.7) in the intensive and standard groups, respectively. The adjusted rate ratio was 1.13 (95% CI = 0.94–1.37, p = 0.20). In conclusion, the trial failed to demonstrate clear evidence of a difference in efficacy. However, differences of up to 36% greater rates of caries in the intensive group could not be ruled out, thus equivalence of the treatments cannot be concluded. PMID:20016179

  2. Enhancement of Performance and Mechanism Studies of All-Solution Processed Small-Molecule based Solar Cells with an Inverted Structure.

    PubMed

    Long, Guankui; Wu, Bo; Yang, Xuan; Kan, Bin; Zhou, Ye-Cheng; Chen, Li-Chuan; Wan, Xiangjian; Zhang, Hao-Li; Sum, Tze Chien; Chen, Yongsheng

    2015-09-30

    Both solution-processed polymers and small molecule based solar cells have achieved PCEs over 9% with the conventional device structure. However, for the practical applications of photovoltaic technology, further enhancement of both device performance and stability are urgently required, particularly for the inverted structure devices, since this architecture will probably be most promising for the possible coming commercialization. In this work, we have fabricated both conventional and inverted structure devices using the same small molecular donor/acceptor materials and compared the performance of both device structures, and found that the inverted structure based device gave significantly improved performance, the highest PCE so far for inverted structure based device using small molecules as the donor. Furthermore, the inverted device shows a remarkable stability with almost no obvious degradation after three months. Systematic device physics and charge generation dynamics studies, including optical simulation, light-intensity-dependent current-voltage experiments, photocurrent density-effective voltage analyses, transient absorption measurements, and electrical simulations, indicate that the significantly enhanced performance using inverted device is ascribed to the increasing of Jsc compared to the conventional device, which in turn is mainly attributed to the increased absorption of photons in the active layers, rather than the reduced nongeminate recombination.

  3. Dynamics of Activated Molecules

    SciTech Connect

    Mullin, Amy S.

    2016-11-16

    Experimental studies have been performed to investigate the collisional energy transfer processes of gas-phase molecules that contain large amounts of internal energy. Such molecules are prototypes for molecules under high temperature conditions relevant in combustion and information about their energy transfer mechanisms is needed for a detailed understanding and modeling of the chemistry. We use high resolution transient IR absorption spectroscopy to measure the full, nascent product distributions for collisions of small bath molecules that relax highly vibrationally excited pyrazine molecules with E=38000 cm-1 of vibrational energy. To perform these studies, we developed new instrumentation based on modern IR light sources to expand our experimental capabilities to investigate new molecules as collision partners. This final report describes our research in four areas: the characterization of a new transient absorption spectrometer and the results of state-resolved collision studies of pyrazine(E) with HCl, methane and ammonia. Through this research we have gained fundamental new insights into the microscopic details of relatively large complex molecules at high energy as they undergo quenching collisions and redistribute their energy.

  4. Why are proteins charged molecules? The role of electrostatics in the stability, activity and processing of proteins

    NASA Astrophysics Data System (ADS)

    Carbeck, Jeffrey

    2004-03-01

    Why do proteins typically have a large number of charged (titratable) groups on their surface? What role do these groups play in regulating the strength and specificity of molecular recognition events in biology? Why are many of these groups weakly acidic or basic? Can current models of electrostatics and electrokinetics -- necessary for predictive modeling and rational design -- accurately describe the role of charged groups on the properties and interactions of proteins? In this talk I will address these questions using studies of the physics and physical chemistry of proteins. Specifically, I will describe the combination of protein charge ladders -- collections of protein derivatives that differ incrementally in net charge -- and capillary electrophoresis (CE) as a biophysical tool that measures directly the effects of interactions between charged groups on the properties and interactions of proteins. This approach shows that the combination of a large number of relatively weak electrostatic interactions can play an important role in the energetics of receptor ligand binding, protein folding, and in bio-processing. I will then develop a picture that shows how changes in proton binding between two states of a protein -- native vs. denatured, bound vs. free -- can play a significant role in regulating the energetics of molecular recognition events involving proteins. I will describe a theoretical framework that quantifies the thermodynamic linkage of proton binding to protein folding and protein -- protein interactions. I will show how CE and protein charge ladders measure this thermodynamic linkage for the case of protein folding. Finally, I will describe how we have used Poisson-Boltzmann theory of electrostatics, in combination with statistical mechanical models of proton binding, to predict linkage events in protein folding and protein -- protein interactions.

  5. Elucidation of Dual Magnetic Relaxation Processes in Dinuclear Dysprosium(III) Phthalocyaninato Triple-Decker Single-Molecule Magnets Depending on the Octacoordination Geometry.

    PubMed

    Katoh, Keiichi; Aizawa, Yu; Morita, Takaumi; Breedlove, Brian K; Yamashita, Masahiro

    2017-08-07

    When applying single-molecule magnets (SMMs) to spintronic devices, control of the quantum tunneling of the magnetization (QTM) as well as a spin-lattice interactions are important. Attempts have been made to use not only coordination geometry but also magnetic interactions between SMMs as an exchange bias. In this manuscript, dinuclear dysprosium(III) (Dy(III) ) SMMs with the same octacoordination geometry undergo dual magnetic relaxation processes at low temperature. In the dinuclear Dy(III) phthalocyaninato (Pc(2-) ) triple-decker type complex [(Pc)Dy(ooPc)Dy(Pc)] (1) (ooPc(2-) =2,3,9,10,16,17,23,24-octakis(octyloxy)phthalocyaninato) with a square-antiprismatic (SAP) geometry, the ground state is divided by the Zeeman effect, and level intersection occurs when a magnetic field is applied. Due to the ground state properties of 1, since the Zeeman diagram where the levels intersect in an Hdc of 2500 Oe, two kinds of QTM and direct processes occur. However, dinuclear Dy(III) -Pc systems with C4 geometry, which have a twist angle (ϕ) of less than 45° do not undergo dual magnetic relaxation processes. From magnetic field and temperature dependences, the dual magnetic relaxation processes were clarified. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Fusion Materials Semiannual Progress Report for the Period Ending June 30, 1999

    SciTech Connect

    Rowcliffe, A.F.

    1999-09-01

    This is the twenty-sixth in a series of semiannual technical progress reports on fusion materials. This report combines the full spectrum of research and development activities on both metallic and non-metallic materials with primary emphasis on the effects of the neutronic and chemical environment on the properties and performance of materials for in-vessel components. This effort forms one element of the materials program being conducted in support of the Fusion Energy Sciences Program of the US Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and its reported separately.

  7. Fusion reactor materials semiannual progress report for the period ending March 31, 1993

    SciTech Connect

    Not Available

    1993-07-01

    This is the fourteenth in a series of semiannual technical progress reports on fusion reactor materials. These activities are concerned principally with the effects of the neutronic and chemical environment on the properties and performance of reactor materials; together they form one element of the overall materials programs being conducted in support of the Magnetic Fusion Energy Program of the US Depart of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately. Separate abstracts were prepared for each individual section.

  8. Fusion materials semiannual progress report for the period ending June 30, 1998

    SciTech Connect

    Burn, G.

    1998-09-01

    This is the twenty-fourth in a series of semiannual technical progress reports on fusion materials. This report combines the full spectrum of research and development activities on both metallic and non-metallic materials with primary emphasis on the effects of the neutronic and chemical environment on the properties and performance of materials for in-vessel components. This effort forms one element of the materials program being conducted in support of the Fusion Energy Sciences Program of the US Department of Energy. Selected papers have been indexed separately for inclusion in the Energy Science and Technology Database.

  9. Collation of monthly and semiannual reports covering instrumentation at the Decade 80 house in Tucson, Arizona

    NASA Technical Reports Server (NTRS)

    1978-01-01

    The Decade 80 solar house, located in Tucson, Arizona, was built to show the use of copper in home building and to demonstrate the use of solar energy to provide space heating and cooling and domestic hot water. The auxiliary energy sources are electrical resistance heating for the domestic hot water and a gas fired boiler for space heating and operation of the absorption air conditioning units. The Semi-Annual report gives an overview of the instrumentation effort with the back-up monthly reports reflecting more detail of the effort that went into the implementation of the data acquisition system.

  10. Fusion Materials Semiannual Progress Report for Period Ending December 31, 1998

    SciTech Connect

    Rowcliff, A.F.; Burn, G.

    1999-04-01

    This is the twenty-fifth in a series of semiannual technical progress reports on fusion materials. This report combines the full spectrum of research and development activities on both metallic and non-metallic materials with primary emphasis on the effects of the neutronic and chemical environment on the properties and performance of materials for in-vessel components. This effort forms one element of the materials program being conducted in support of the Fusion Energy Sciences Program of the U.S. Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately.

  11. TFE verification program: Semiannual report for the period ending April 30, 1988

    SciTech Connect

    Not Available

    1988-06-01

    The objective of the semiannual progress report is to summarize the technical results obtained during the latest reporting period. The information presented herein will include evaluated test data, design evaluations, the results of analyses and the significance of results. The program objective is to demonstrate the technology readiness of a Thermionic Fuel Element suitable for use as the basic element in a thermionic reactor with electric power output in the 0.5 to 5.0 MW(e) range, and a full-power life of 7 years. 14 refs., 107 figs., 35 tabs.

  12. TFE Verification Program: Semiannual report for the period ending April 30, 1989

    SciTech Connect

    Not Available

    1989-09-01

    The objective of the semiannual progress report is to summarize the technical results obtained during the latest reporting period. The information presented herein will include evaluated test data, design evaluations, the results of analyses and the significance of results. The program objective is to demonstrate the technology readiness of a TFE suitable for use as the basic element in a thermionic reactor with electric power output in the 0.5 to 5.0 MW(e) range, and a full-power life of 7 years. 55 figs., 30 tabs.

  13. TFE Verification Program semiannual report for the period ending September 30, 1990

    SciTech Connect

    Not Available

    1991-01-01

    The program objective is to demonstrate the technology readiness of a TFE suitable for use as the basic element in a thermionic reactor with electric power output in the 0.5 to 5.0 MW(e) range, and full-power life of 7 years. The objective of the semiannual progress report is to summarize the technical results obtained during the latest reporting period. The information presented in this paper will include evaluated test data, design evaluations, the results of analyses and the significance of results.

  14. Fusion reactor materials: Semiannual progress report for the period ending March 31, 1987

    SciTech Connect

    none,

    1987-09-01

    This is the second in a series of semiannual technical progress reports on fusion reactor materials. This report combines research and development activities in the following areas: (1) Alloy Development for Irradiation Performance; (2) Damage Analysis and Fundamental Studies; and (3) Special Purpose Materials. These activities are concerned principally with the effects of the neutronic and chemical environment on the properties and performance of reactor materials; together they form one element of the overall materials program being conducted in support of the Magnetic Fusion Energy Program of the US Department of Energy. Separate analytics were prepared for the reports in this volume.

  15. DNA: An Extensible Molecule

    NASA Astrophysics Data System (ADS)

    Cluzel, Philippe; Lebrun, Anne; Heller, Christoph; Lavery, Richard; Viovy, Jean-Louis; Chatenay, Didier; Caron, Francois

    1996-02-01

    The force-displacement response of a single duplex DNA molecule was measured. The force saturates at a plateau around 70 piconewtons, which ends when the DNA has been stretched about 1.7 times its contour length. This behavior reveals a highly cooperative transition to a state here termed S-DNA. Addition of an intercalator suppresses this transition. Molecular modeling of the process also yields a force plateau and suggests a structure for the extended form. These results may shed light on biological processes involving DNA extension and open the route for mechanical studies on individual molecules in a previously unexplored range.

  16. High-Efficiency Phosphorescent Hybrid Organic-Inorganic Light-Emitting Diodes Using a Solution-Processed Small-Molecule Emissive Layer.

    PubMed

    Fan, Changjun; Lei, Yong; Liu, Zhen; Wang, Ruixue; Lei, Yanlian; Li, Guoqing; Xiong, Zuhong; Yang, Xiaohui

    2015-09-23

    The morphology and optical and electrical properties of solution-processed and vacuum-deposited 4,4',4″-tris(carbazol-9-yl)triphenylamine (TCTA):2,2'-(1,3-phenylene)bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazole] (OXD-7) composite films are investigated. All of the films exhibit smooth and pinhole-free morphology, while the evaporated films possess enhanced carrier-transport properties compared to solution-processed ones. The close correlation between the carrier-transport feature and the packing density of the film is established. High-efficiency monochromatic and white phosphorescent hybrid organic-inorganic light-emitting diodes with solution-processed small-molecule emissive layers are reported: the maximum external quantum efficiencies of blue, yellow, and red devices are 18.9, 14.6, and 10.2%, respectively; white devices show a maximum luminance efficiency of 40 cd A(-1) and a power efficiency of 20.8 lm W(-1) at 1000 cd m(-2). The efficiencies of blue, red, and white devices represent significant improvement over previously reported values.

  17. Donor-Acceptor-Donor Modular Small Organic Molecules Based on the Naphthalene Diimide Acceptor Unit for Solution-Processable Photovoltaic Devices

    NASA Astrophysics Data System (ADS)

    Patil, Hemlata; Gupta, Akhil; Bilic, Ante; Jackson, Sam Leslie; Latham, Kay; Bhosale, Sheshanath V.

    2014-09-01

    Two novel solution-processable small organic molecules, 4,9-bis(4-(diphenylamino)phenyl)-2,7-dioctylbenzo[3,8]phenanthroline-1,3,6,8(2 H,7 H)-tetraone ( S6) and 4,9-bis(benzo[ b]thiophen-2-yl)-2,7-dioctylbenzo[3,8]phenanthroline-1,3,6,8 (2 H,7 H)-tetraone ( S7), have been successfully designed, synthesized, characterized, and applied in solution-processable photovoltaic devices. S6 and S7 contain a common electron-accepting moiety, naphthalene diimide (NDI), with different electron-donating moieties, triphenylamine ( S6) and benzothiophene ( S7), and are based on a donor-acceptor-donor structure. S7 was isolated as black, rod-shaped crystals. Its triclinic structure was determined by single crystal x-ray diffraction (XRD): space group , Z = 2, a = 9.434(5) Å, b = 14.460(7) Å, c = 15.359(8) Å, α = 67.256(9) degrees, β = 80.356(11) degrees, γ = 76.618(10) degrees, at 150 Kelvin (K), R = 0.073. Ultraviolet-visible absorption spectra revealed that use of triphenylamine donor functionality with the NDI acceptor unit resulted in an enhanced intramolecular charge transfer (ICT) transition and reduction of the optical band gap compared with the benzothiophene analogue. Solution-processable inverted bulk heterojunction devices with the structure indium tin oxide/zinc oxide (30 nm)/active layer/molybdenum trioxide (10 nm)/silver (100 nm) were fabricated with S6 and S7 as donors and (6,6)-phenyl C70-butyric acid methyl ester (PC70BM) as acceptor. Power conversion efficiencies of 0.22% for S6/PC70BM and 0.10% for S7/PC70BM were achieved for the preliminary photovoltaic devices under simulated AM 1.5 illumination (100 mW cm-2). This paper reports donor-acceptor-donor modular small organic molecules, with NDI as central accepting unit, that have been screened for use in solution-processable inverted photovoltaic devices.

  18. 46 CFR Appendix III to Part 390 - U.S. Department of Transportation, Maritime Administration-Sample Semiannual Report

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 8 2011-10-01 2011-10-01 false U.S. Department of Transportation, Maritime Administration-Sample Semiannual Report III Appendix III to Part 390 Shipping MARITIME ADMINISTRATION, DEPARTMENT OF TRANSPORTATION REGULATIONS UNDER PUBLIC LAW 91-469 CAPITAL CONSTRUCTION FUND Pt. 390, App. III...

  19. Data Summary Report for the 1997 Semiannual Tritium Survey for Fourmile Branch and the F- and H-Area Seeplines

    SciTech Connect

    Koch, J.W. II

    1998-01-05

    This report presents a summary of the definitive data validation and verification for the 1997 RFI/RI semiannual tritium survey for Fourmile Branch and the F- and H-Area Seeplines. The RFI/RI was performed under the direction of WSRC ESS/Ecology. This report was prepared under the direction EPD/EMS.

  20. Data Summary Report for the 1998 Semiannual Tritium Surveys for Fourmile Branch and the F- and H-Area Seeplines

    SciTech Connect

    Koch, J.

    1999-01-26

    This report presents a summary of the definitive data validation and verification for the 1998 semiannual tritium surveys for Fourmile Branch and the F- and H-Area Seeplines. The project was performed under the direction of WSRC EAS/Ecology. This report was prepared under the direction of EPD/EMS.

  1. Data Summary Report for the Semiannual Tritium Survey for Fourmile Branch and the F- and H-Area Seeplines

    SciTech Connect

    Koch, J. II

    1996-12-16

    This report presents a summary of the definitive data validation and verification for the Semiannual Tritium Survey for Fourmile Branch and the F- and H-Area Seeplines. The survey was performed at the request of the WSRC ERD and conducted by WSRC/ESS. This report was prepared under the direction of EPD/EMS.

  2. 46 CFR Appendix III to Part 390 - U.S. Department of Transportation, Maritime Administration-Sample Semiannual Report

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 8 2010-10-01 2010-10-01 false U.S. Department of Transportation, Maritime Administration-Sample Semiannual Report III Appendix III to Part 390 Shipping MARITIME ADMINISTRATION, DEPARTMENT OF TRANSPORTATION REGULATIONS UNDER PUBLIC LAW 91-469 CAPITAL CONSTRUCTION FUND Pt. 390, App....

  3. The Norwegian Seismic Array (NORSAR). Phase 3. Semiannual technical summary 1 Oct 1992-31 Mar 1993

    DTIC Science & Technology

    1993-07-01

    This Semiannual Technical Summary describes the operation, maintenance and research activities at the Norwegian Seismic Array (NORSAR), the Norwegian...0 for the reporting period are given. Maintenance activities in the period comprise preventive/corrective maintenance in con- nection with all the...NORSAR subarrays, NORESS and ARCESS. In addition, the mainte- nance center has been involved with occasional maintenance of equipment for FINESA

  4. Research Libraries in the Online Environment. Minutes of the Semiannual Meeting (102nd, Banff, Alberta, May 4-6, 1983).

    ERIC Educational Resources Information Center

    Association of Research Libraries, Washington, DC.

    Included in the transcript of this semiannual meeting of the Assocation of Research Libraries (ARL) are the following: (1) papers by Sharon Hogan on the definition of data in an online environment, by John Black on ways of communicating data, and by Peter Wolters on data sharing and library networking in the United States and Canada; (2) a record…

  5. 17 CFR 270.30b1-1 - Semi-annual report for registered management investment companies.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... registered management investment companies. 270.30b1-1 Section 270.30b1-1 Commodity and Securities Exchanges....30b1-1 Semi-annual report for registered management investment companies. Every registered management... management investment company that has filed a registration statement with the Commission registering...

  6. 17 CFR 270.30b1-1 - Semi-annual report for registered management investment companies.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... registered management investment companies. 270.30b1-1 Section 270.30b1-1 Commodity and Securities Exchanges....30b1-1 Semi-annual report for registered management investment companies. Every registered management... management investment company that has filed a registration statement with the Commission registering...

  7. 49 CFR Appendix B to Part 40 - DOT Drug Testing Semi-Annual Laboratory Report to Employers

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 1 2012-10-01 2012-10-01 false DOT Drug Testing Semi-Annual Laboratory Report to... TRANSPORTATION WORKPLACE DRUG AND ALCOHOL TESTING PROGRAMS Pt. 40, App. B Appendix B to Part 40—DOT Drug Testing...) (b) Negative and Dilute (number) 3. Specimens Reported as Rejected for Testing (total number) By...

  8. 49 CFR Appendix C to Part 40 - DOT Drug Testing Semi-Annual Laboratory Report to DOT

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 1 2013-10-01 2013-10-01 false DOT Drug Testing Semi-Annual Laboratory Report to... TRANSPORTATION WORKPLACE DRUG AND ALCOHOL TESTING PROGRAMS Pt. 40, App. C Appendix C to Part 40—DOT Drug Testing... of Drug and Alcohol Policy and Compliance, W62-300, 1200 New Jersey Avenue, SE., Washington, DC 20590...

  9. 49 CFR Appendix B to Part 40 - DOT Drug Testing Semi-Annual Laboratory Report to Employers

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 1 2014-10-01 2014-10-01 false DOT Drug Testing Semi-Annual Laboratory Report to... TRANSPORTATION WORKPLACE DRUG AND ALCOHOL TESTING PROGRAMS Pt. 40, App. B Appendix B to Part 40—DOT Drug Testing...) (b) Negative and Dilute (number) 3. Specimens Reported as Rejected for Testing (total number) By...

  10. 49 CFR Appendix C to Part 40 - DOT Drug Testing Semi-Annual Laboratory Report to DOT

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 1 2012-10-01 2012-10-01 false DOT Drug Testing Semi-Annual Laboratory Report to... TRANSPORTATION WORKPLACE DRUG AND ALCOHOL TESTING PROGRAMS Pt. 40, App. C Appendix C to Part 40—DOT Drug Testing... of Drug and Alcohol Policy and Compliance, W62-300, 1200 New Jersey Avenue, SE., Washington, DC 20590...

  11. 49 CFR Appendix C to Part 40 - DOT Drug Testing Semi-Annual Laboratory Report to DOT

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 1 2014-10-01 2014-10-01 false DOT Drug Testing Semi-Annual Laboratory Report to... TRANSPORTATION WORKPLACE DRUG AND ALCOHOL TESTING PROGRAMS Pt. 40, App. C Appendix C to Part 40—DOT Drug Testing... of Drug and Alcohol Policy and Compliance, W62-300, 1200 New Jersey Avenue, SE., Washington, DC 20590...

  12. Research on Reading in Secondary Schools: A Semi-Annual Report, Volume 2, Number 2. Monograph Number Three.

    ERIC Educational Resources Information Center

    Vaughan, Joseph L., Jr., Ed.; Gaus, Paula J., Ed.

    This monograph is the third in a series of semiannual reports of research related to reading in secondary schools. The first section of the monograph is made up of three research studies on the validation of teaching procedures to facilitate students' comprehension of content area texts, the graph-reading abilities of seventh grade students, and a…

  13. 49 CFR Appendix C to Part 40 - DOT Drug Testing Semi-Annual Laboratory Report to DOT

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ...) Uncorrected Flaw (number) 4. Positive Results Reported (total number) By Drug (a) Marijuana Metabolite (number... 49 Transportation 1 2011-10-01 2011-10-01 false DOT Drug Testing Semi-Annual Laboratory Report to... TRANSPORTATION WORKPLACE DRUG AND ALCOHOL TESTING PROGRAMS Pt. 40, App. C Appendix C to Part 40—DOT Drug...

  14. 49 CFR Appendix B to Part 40 - DOT Drug Testing Semi-Annual Laboratory Report to Employers

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... number) By Drug (a) Marijuana Metabolite (number) (b) Cocaine Metabolite (number) (c) Opiates (number) (1... 49 Transportation 1 2011-10-01 2011-10-01 false DOT Drug Testing Semi-Annual Laboratory Report to... TRANSPORTATION WORKPLACE DRUG AND ALCOHOL TESTING PROGRAMS Pt. 40, App. B Appendix B to Part 40—DOT Drug...

  15. Research on Reading in Secondary Schools: A Semi-Annual Report, Volume 2, Number 2. Monograph Number Three.

    ERIC Educational Resources Information Center

    Vaughan, Joseph L., Jr., Ed.; Gaus, Paula J., Ed.

    This monograph is the third in a series of semiannual reports of research related to reading in secondary schools. The first section of the monograph is made up of three research studies on the validation of teaching procedures to facilitate students' comprehension of content area texts, the graph-reading abilities of seventh grade students, and a…

  16. 17 CFR 249.330 - Form N-SAR, annual and semi-annual report of certain registered investment companies.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 17 Commodity and Securities Exchanges 4 2014-04-01 2014-04-01 false Form N-SAR, annual and semi... Exchange Act of 1934 § 249.330 Form N-SAR, annual and semi-annual report of certain registered investment... Form N-SAR, see the List of CFR Sections Affected, which appears in the Finding Aids section of the...

  17. 17 CFR 249.330 - Form N-SAR, annual and semi-annual report of certain registered investment companies.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 17 Commodity and Securities Exchanges 3 2012-04-01 2012-04-01 false Form N-SAR, annual and semi... Exchange Act of 1934 § 249.330 Form N-SAR, annual and semi-annual report of certain registered investment... Form N-SAR, see the List of CFR Sections Affected, which appears in the Finding Aids section of the...

  18. 17 CFR 249.330 - Form N-SAR, annual and semi-annual report of certain registered investment companies.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 17 Commodity and Securities Exchanges 3 2013-04-01 2013-04-01 false Form N-SAR, annual and semi... Exchange Act of 1934 § 249.330 Form N-SAR, annual and semi-annual report of certain registered investment... Form N-SAR, see the List of CFR Sections Affected, which appears in the Finding Aids section of the...

  19. 17 CFR 249.330 - Form N-SAR, annual and semi-annual report of certain registered investment companies.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 17 Commodity and Securities Exchanges 3 2010-04-01 2010-04-01 false Form N-SAR, annual and semi... Exchange Act of 1934 § 249.330 Form N-SAR, annual and semi-annual report of certain registered investment... Form N-SAR, see the List of CFR Sections Affected, which appears in the Finding Aids section of the...

  20. The global structure of the annual and semiannual sea surface height variability from Geosat altimeter data

    NASA Technical Reports Server (NTRS)

    Jacobs, Gregg A.; Born, George H.; Parke, Mike E.; Allen, Patrick C.

    1992-01-01

    Two years of data from the Geosat Exact Repeat Mission are employed to study the annual and semiannual variability of sea-surface height on a global basis. The data are treated with atmospheric corrections and interpolations, and the orbit error of about 40 cm RMS is purged. The spatial variability of the Geosat data is constructed for particular frequencies, and the estimate of the M2 tidal error indicates that the error is aliased to 1.15 cycles/yr and has an unusual spatial pattern. Sine and cosine coefficients are derived for the annual and semiannual frequencies by means of a least squares fit yielding the amplitude and phase of the changes in sea-surface height. A 180-deg phase difference is noted between the Northern and Southern Hemispheres for the annual variability, and large-scale westward propagating waves are identified. The Geosat data also indicate the phase relationships between major current systems and the systems of variations at work in the Intertropical Convergence Zone.

  1. Mobile Energy Laboratory energy-efficiency testing programs. Semiannual report, April 1, 1991--September 30, 1991

    SciTech Connect

    Parker, G. B.; Currie, J. W.

    1992-03-01

    This report summarizes energy-efficiency testing activities applying the Mobile Energy Laboratory (MEL) testing capabilities during the third and fourth quarters of fiscal year (FY) 1991. The MELs, developed by the US Department of Energy (DOE) Federal Energy Management Program (FEMP), are administered by Pacific Northwest Laboratory (PNL) and the Naval Energy and Environmental Support Activity (NEESA) for energy testing and energy conservation program support functions at federal facilities. The using agencies principally fund MEL applications, while DOE/FEMP funds program administration and capability enhancement activities. This report fulfills the requirements established in Section 8 of the MEL Use Plan (PNL-6861) for semi-annual reporting on energy-efficiency testing activities using the MEL capabilities. The MEL Use Committee, formally established in 1989, developed the MEL Use Plan and meets semi-annually to establish priorities for energy-efficient testing applications using the MEL capabilities. The MEL Use Committee is composed of one representative each of the US Department of Energy, US Army, US Air Force, US Navy, and other federal agencies.

  2. Molecules and dust in Cassiopeia A. I. Synthesis in the supernova phase and processing by the reverse shock in the clumpy remnant

    NASA Astrophysics Data System (ADS)

    Biscaro, Chiara; Cherchneff, Isabelle

    2014-04-01

    Aims: We study the chemistry of the type IIb supernova ejecta, which led to the Cas A supernova remnant, to assess the chemical type and quantity of dust that forms and evolves in the remnant phase. We later model a dense oxygen-rich ejecta knot, which is crossed by the reverse shock in Cas A, to study the evolution of the clump gas phase and the possibility to reform dust clusters in the post-reverse shock gas. Methods: The chemistry is described by a chemical network that includes all possible processes that are efficient at high gas temperatures and densities. The formation of key bimolecular species (e.g., CO and SiO) and dust clusters of silicates, alumina, silica, metal carbides and sulphides, pure metals, and amorphous carbon is considered. A set of stiff, coupled ordinary differential equations is solved for the conditions pertaining to both the SN ejecta and the post-reverse shock gas. Results: We find that the ejecta of type IIb SNe are unable to form large amounts of molecules and molecular clusters that are precursors to dust grains, when compared to their type II-P counterparts, because of their diffuse ejecta. The ejecta gas density needs to be increased by several orders of magnitude to allow for the formation of dust clusters. We show that the chemical composition of the dust clusters that form changes drastically and gains in chemical complexity with increasing gas density. Hence, the ejecta of the Cas A supernova progenitor must have been in the form of dense clumps to account for the dust chemical composition and masses that have been inferred from infrared observations of Cas A. As for the impact of the reverse shock on dense ejecta clumps, we show that the ejecta molecules that are destroyed by the shock reform in the post-reverse shock gas with lower abundances than those of the initial ejecta clump, except for SiO. These molecules include CO, SiS, and O2. On the other hand, dust clusters are destroyed by the reverse shock and do not reform in

  3. HTGR generic technology program. Semiannual report ending March 31, 1980

    SciTech Connect

    Not Available

    1980-05-01

    This document reports the technical accomplishments on the HTGR Generic Technology Program at General Atomic during the first half of FY-80. It covers a period when the design direction of the National HTGR Program is in the process of an overall review. The HTGR Generic Technology Program activities have continued so as to provide the basic technology required for all HTGR applications. The activities include the need to develop an MEU fuel and the need to qualify materials and components for the higher temperatures of the gas turbine and process heat plants.

  4. Single-molecule visualization of RecQ helicase reveals DNA melting, nucleation, and assembly are required for processive DNA unwinding.

    PubMed

    Rad, Behzad; Forget, Anthony L; Baskin, Ronald J; Kowalczykowski, Stephen C

    2015-12-15

    DNA helicases are motor proteins that unwind double-stranded DNA (dsDNA) to reveal single-stranded DNA (ssDNA) needed for many biological processes. The RecQ helicase is involved in repairing damage caused by DNA breaks and stalled replication forks via homologous recombination. Here, the helicase activity of RecQ was visualized on single molecules of DNA using a fluorescent sensor that directly detects ssDNA. By monitoring the formation and progression of individual unwinding forks, we observed that both the frequency of initiation and the rate of unwinding are highly dependent on RecQ concentration. We establish that unwinding forks can initiate internally by melting dsDNA and can proceed in both directions at up to 40-60 bp/s. The findings suggest that initiation requires a RecQ dimer, and that continued processive unwinding of several kilobases involves multiple monomers at the DNA unwinding fork. We propose a distinctive model wherein RecQ melts dsDNA internally to initiate unwinding and subsequently assembles at the fork into a distribution of multimeric species, each encompassing a broad distribution of rates, to unwind DNA. These studies define the species that promote resection of DNA, proofreading of homologous pairing, and migration of Holliday junctions, and they suggest that various functional forms of RecQ can be assembled that unwind at rates tailored to the diverse biological functions of RecQ helicase.

  5. Proceedings of the First Semiannual Distributed Receiver Program Review

    NASA Technical Reports Server (NTRS)

    1980-01-01

    Point focus and line focus distributed receiver solar thermal technology for the production of electric power and of industrial process heat is addressed. Concentrator, receiver, and power conversion development are covered along with hardware tests and evaluation. Mass production costing, parabolic dish applications, and trough and bowl systems are included.

  6. Vibrational autoionization in polyatomic molecules.

    PubMed

    Pratt, S T

    2005-01-01

    The vibrationally autoionizing Rydberg states of small polyatomic molecules provide a fascinating laboratory in which to study fundamental nonadiabatic processes. In this review, recent results on the vibrational mode dependence of vibrational autoionization are discussed. In general, autoionization rates depend strongly on the character of the normal mode driving the process and on the electronic character of the Rydberg electron. Although quantitative calculations based on multichannel quantum defect theory are available for some polyatomic molecules, including H3, only qualitative information exists for most molecules. This review shows how qualitative information, such as Walsh diagrams along different normal coordinates of the molecule, can provide insight into the vibrational autoionization rates.

  7. The development of coal-based technologies for Department of Defense facilities. Volume 2, Appendices. Semiannual technical progress report, September 28, 1994--March 27, 1995

    SciTech Connect

    Miller, B.G.; Bartley, D.A.; Hatcher, P.

    1996-10-15

    This semiannual progress report contains the following appendices: description of the 1,000 lb steam/h watertube research boiler; the Pennsylvania CGE model; Phase II, subtask 3.9 coal market analysis; the CGE model; and sector definition.

  8. Order of amino acids in C-terminal cysteine-containing peptide-based chelators influences cellular processing and biodistribution of 99mTc-labeled recombinant Affibody molecules.

    PubMed

    Altai, Mohamed; Wållberg, Helena; Orlova, Anna; Rosestedt, Maria; Hosseinimehr, Seyed Jalal; Tolmachev, Vladimir; Ståhl, Stefan

    2012-05-01

    Affibody molecules constitute a novel class of molecular display selected affinity proteins based on non-immunoglobulin scaffold. Preclinical investigations and pilot clinical data have demonstrated that Affibody molecules provide high contrast imaging of tumor-associated molecular targets shortly after injection. The use of cysteine-containing peptide-based chelators at the C-terminus of recombinant Affibody molecules enabled site-specific labeling with the radionuclide 99mTc. Earlier studies have demonstrated that position, composition and the order of amino acids in peptide-based chelators influence labeling stability, cellular processing and biodistribution of Affibody molecules. To investigate the influence of the amino acid order, a series of anti-HER2 Affibody molecules, containing GSGC, GEGC and GKGC chelators have been prepared and characterized. The affinity to HER2, cellular processing of 99mTc-labeled Affibody molecules and their biodistribution were investigated. These properties were compared with that of the previously studied 99mTc-labeled Affibody molecules containing GGSC, GGEC and GGKC chelators. All variants displayed picomolar affinities to HER2. The substitution of a single amino acid in the chelator had an appreciable influence on the cellular processing of 99mTc. The biodistribution of all 99mTc-labeled Affibody molecules was in general comparable, with the main difference in uptake and retention of radioactivity in excretory organs. The hepatic accumulation of radioactivity was higher for the lysine-containing chelators and the renal retention of 99mTc was significantly affected by the amino acid composition of chelators. The order of amino acids influenced renal uptake of some conjugates at 1 h after injection, but the difference decreased at later time points. Such information can be helpful for the development of other scaffold protein-based imaging and therapeutic radiolabeled conjugates.

  9. Ceramic Technology Project semiannual progress report, October 1992--March 1993

    SciTech Connect

    Johnson, D.R.

    1993-09-01

    This project was developed to meet the ceramic technology requirements of the OTS`s automotive technology programs. Although progress has been made in developing reliable structural ceramics, further work is needed to reduce cost. The work described in this report is organized according to the following work breakdown structure project elements: Materials and processing (monolithics [Si nitride, carbide], ceramic composites, thermal and wear coatings, joining, cost effective ceramic machining), materials design methodology (contact interfaces, new concepts), data base and life prediction (structural qualification, time-dependent behavior, environmental effects, fracture mechanics, nondestructive evaluation development), and technology transfer.

  10. Nuclear technology programs. Semiannual progress report, April--September 1991

    SciTech Connect

    Not Available

    1993-07-01

    This document reports on the work done by the Nuclear Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period April through September 1991. These programs involve R & D in three areas: applied physical chemistry, separation science and technology, and nuclear waste management. The work in applied physical chemistry includes investigations into the processes that control the release and transport of fission products under accident-like conditions in a light water reactor, the thermophysical properties of the metal fuel in the Integral Fast Reactor, and the properties of selected materials in environments simulating those of fusion energy systems. In the area of separation science and technology, the bulk of the effort is concerned with developing and implementing processes for the removal and concentration of actinides from waste streams contaminated by transuranic elements. In the area of waste management, investigations are underway on the performance of materials in projected nuclear repository conditions to provide input to the licensing of the nation`s high-level waste repositories.

  11. Nuclear Technology Programs semiannual progress report, October 1988--March 1989

    SciTech Connect

    Harmon, J.E.

    1990-12-01

    This document reports on the work done by the Nuclear Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period October 1988--March 1989. These programs involve R&D in three areas: applied physical chemistry, separation science and technology, and nuclear waste management. The work in applied physical chemistry includes investigations into the processes that control the release and transport of fission products under accident-like conditions, the thermophysical properties of metal fuel and blanket materials of the Integral Fast Reactor, and the properties of selected materials in environments simulating those of fusion energy systems. In the area of separation science and technology, the bulk of the effort is concerned with developing and implementing processes for the removal and concentration of actinides from waste streams contaminated by transuranic elements. Another effort is concerned with examining the feasibility of substituting low-enriched for high-enriched uranium in the production of fission product {sup 99}Mo. In the area of waste management, investigations are underway on the performance of materials in projected nuclear repository conditions to provide input to the licensing of the nation`s high-level waste repositories. 127 refs., 76 figs., 103 tabs.

  12. Nuclear Technology Programs semiannual progress report, October 1990--March 1991

    SciTech Connect

    1992-12-01

    This document reports on the work done by the Nuclear Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period October 1990--March 1991. These programs involve R&D in three areas: applied physical chemistry, separation science and technology, and nuclear waste management. The work in applied physical chemistry includes investigations into the processes that control the release and transpose of fission products under accident-like conditions in a light water reactor, the thermophysical properties of the metal fuel in the Integral Fast Reactor, and the properties of selected materials in environments simulating those of fusion energy systems. In the area of separation science and technology, the bulk of the effort is concerned with developing and implementing processes for the removal and concentration of actinides from waste streams contaminated by transuranic elements. In the area of waste management, investigations are underway on the performance of materials in projected nuclear repository conditions to provide input to the licensing of the nation`s high-level waste repositories.

  13. Nuclear Technology Programs semiannual progress report, April-- September 1990

    SciTech Connect

    Harmon, J.E.

    1992-06-01

    This document reports on the work done by the Nuclear Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period April--September 1990. These programs involve R&D in three areas: applied physical chemistry, separation science and technology, and nuclear waste management. The work in applied physical chemistry includes investigations into the processes that control the release and transport of fission products under accident-like conditions in a light water reactor, the thermophysical properties of the metal fuel in the Integral Fast Reactor, and the properties of selected materials in environments simulating those of fusion energy systems. In the area of separation science and technology, the bulk of the effort is concerned with developing and implementing processes for the removal and concentration of actinides from waste streams contaminated by transuranic elements. In the area of waste management, investigations are underway on the performance of materials in projected nuclear repository conditions to provide input to the licensing of the nation`s high-level waste repositories.

  14. Nuclear Technology Programs semiannual progress report, April-- September 1990

    SciTech Connect

    Harmon, J.E.

    1992-06-01

    This document reports on the work done by the Nuclear Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period April--September 1990. These programs involve R D in three areas: applied physical chemistry, separation science and technology, and nuclear waste management. The work in applied physical chemistry includes investigations into the processes that control the release and transport of fission products under accident-like conditions in a light water reactor, the thermophysical properties of the metal fuel in the Integral Fast Reactor, and the properties of selected materials in environments simulating those of fusion energy systems. In the area of separation science and technology, the bulk of the effort is concerned with developing and implementing processes for the removal and concentration of actinides from waste streams contaminated by transuranic elements. In the area of waste management, investigations are underway on the performance of materials in projected nuclear repository conditions to provide input to the licensing of the nation's high-level waste repositories.

  15. Nuclear technology programs; Semiannual progress report, October 1989--March 1990

    SciTech Connect

    Harmon, J.E.

    1992-01-01

    This document reports on the work done by the Nuclear Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period October 1989--March 1990. These programs involve R&D in three areas: applied physical chemistry, separation science and technology, and nuclear waste management. The work in applied physical chemistry includes investigations into the processes that control the release and transport of fission products under accident-like conditions, the thermophysical properties of metal fuel and blanket materials of the Integral Fast Reactor, and the properties of selected materials in environments simulating those of fusion energy systems. In the area of separation science and technology, the bulk of the effort is concerned with developing and implementing processes for the removal and concentration of actinides from waste streams contaminated by transuranic elements. Another effort is concerned water waste stream generated in production of 2,4,6-trinitrotoluene. In the area of waste management, investigations are underway on the performance of materials in projected nuclear repository conditions to provide input to the licensing of the nation`s high-level waste repositories.

  16. MOLECULES IN {eta} CARINAE

    SciTech Connect

    Loinard, Laurent; Menten, Karl M.; Guesten, Rolf; Zapata, Luis A.; Rodriguez, Luis F.

    2012-04-10

    We report the detection toward {eta} Carinae of six new molecules, CO, CN, HCO{sup +}, HCN, HNC, and N{sub 2}H{sup +}, and of two of their less abundant isotopic counterparts, {sup 13}CO and H{sup 13}CN. The line profiles are moderately broad ({approx}100 km s{sup -1}), indicating that the emission originates in the dense, possibly clumpy, central arcsecond of the Homunculus Nebula. Contrary to previous claims, CO and HCO{sup +} do not appear to be underabundant in {eta} Carinae. On the other hand, molecules containing nitrogen or the {sup 13}C isotope of carbon are overabundant by about one order of magnitude. This demonstrates that, together with the dust responsible for the dimming of {eta} Carinae following the Great Eruption, the molecules detected here must have formed in situ out of CNO-processed stellar material.

  17. Ceramic Technology Project semiannual progress report, April 1992--September 1992

    SciTech Connect

    Johnson, D.R.

    1993-07-01

    This project was developed to meet the ceramic technology requirements of the DOE Office of Transportation Systems` automotive technology programs. Significant progress in fabricating ceramic components for DOE, NASA, and DOE advanced heat engine programs show that operation of ceramic parts in high-temperature engines is feasible; however, addition research is needed in materials and processing, design, and data base and life prediction before industry will have a sufficient technology base for producing reliable cost-effective ceramic engine components commercially. A 5-yr project plan was developed, with focus on structural ceramics for advanced gas turbine and diesel engines, ceramic bearings and attachments, and ceramic coatings for thermal barrier and wear applications in these engines.

  18. Ceramic Technology Project. Semiannual progress report, April 1991--September 1991

    SciTech Connect

    Not Available

    1992-03-01

    The Ceramic Technology Project was developed by the USDOE Office of Transportation Systems (OTS) in Conservation and Renewable Energy. This project, part of the OTS`s Materials Development Program, was developed to meet the ceramic technology requirements of the OTS`s automotive technology programs. Significant accomplishments in fabricating ceramic components for the USDOE and NASA advanced heat engine programs have provided evidence that the operation of ceramic parts in high-temperature engine environments is feasible. These programs have also demonstrated that additional research is needed in materials and processing development, design methodology, and data base and life prediction before industry will have a sufficient technology base from which to produce reliable cost-effective ceramic engine components commercially. A five-year project plan was developed with extensive input from private industry. In July 1990 the original plan was updated through the estimated completion of development in 1993. The objective is to develop the industrial technology base required for reliable ceramics for application in advanced automotive heat engines. The project approach includes determining the mechanisms controlling reliability, improving processes for fabricating existing ceramics, developing new materials with increased reliability, and testing these materials in simulated engine environments to confirm reliability. Although this is a generic materials project, the focus is on the structural ceramics for advanced gas turbine and diesel engines, ceramic bearings and attachments, and ceramic coatings for thermal barrier and wear applications in these engines. To facilitate the rapid transfer of this technology to US industry, the major portion of the work is being done in the ceramic industry, with technological support from government laboratories, other industrial laboratories, and universities.

  19. Biobased surfactant-like molecules from organic wastes: the effect of waste composition and composting process on surfactant properties and on the ability to solubilize Tetrachloroethene (PCE).

    PubMed

    Quadri, Giorgia; Chen, Xiaosong; Jawitz, James W; Tambone, Fulvia; Genevini, Pierluigi; Faoro, Franco; Adani, Fabrizio

    2008-04-01

    In this work, four surfactant-like humic acids (HAs) obtained from garden lignocellulose wastes and kitchen food wastes mixed with garden-lignocellulose wastes, both before and after composting, were tested for surfactant properties and the ability to solubilize tetrachloroethene (PCE). The waste-derived HAs showed good surfactant properties, lowering the water surface tension from 74 mN m(-1) to 45.4 +/- 4.4 mN m(-1), with a critical micelle concentration (CMC) of 1.54 +/- 1.68 g L(-1), which is lower than many synthetic ionic surfactants. CMC was affected by both waste origin and composting processes. The addition of food waste and composting reduced CMC by adding alkyl-C (measured by CP MAS 13C NMR) and N- and S-HA contents (amide molecules), so that a multistep regression was found [CMC = 24.6 - 0.189 alkyl C - 2.64 (N + S); R2 = 0.77, P < 0.10, n = 6]. The four HAs solubilized PCE at the rate of 0.18-0.47 g PCE/g aqueous biosurfactant. These results were much higher than those reported in the literature for a commercial HA (0.026 g/g), but they were in line with those measured in this work for nonionic surfactants such as Tween-80 (0.69 g/g) and Triton X-100 (1.08 g/g).

  20. ZRBA1, a Mixed EGFR/DNA Targeting Molecule, Potentiates Radiation Response Through Delayed DNA Damage Repair Process in a Triple Negative Breast Cancer Model.

    PubMed

    Heravi, Mitra; Kumala, Slawomir; Rachid, Zakaria; Jean-Claude, Bertrand J; Radzioch, Danuta; Muanza, Thierry M

    2015-06-01

    ZRBA1 is a combi-molecule designed to induce DNA alkylating lesions and to block epidermal growth factor receptor (EGFR) TK domain. Inasmuch as ZRBA1 downregulates the EGFR TK-mediated antisurvival signaling and induces DNA damage, we postulated that it might be a radiosensitizer. The aim of this study was to further investigate the potentiating effect of ZRBA1 in combination with radiation and to elucidate the possible mechanisms of interaction between these 2 treatment modalities. The triple negative human breast MDA-MB-468 cancer cell line and mouse mammary cancer 4T1 cell line were used in this study. Clonogenic assay, Western blot analysis, and DNA damage analysis were performed at multiple time points after treatment. To confirm our in vitro findings, in vivo tumor growth delay assay was performed. Our results show that a combination of ZRBA1 and radiation increases the radiation sensitivity of both cell lines significantly with a dose enhancement factor of 1.56, induces significant numbers of DNA strand breaks, prolongs higher DNA damage up to 24 hours after treatment, and significantly increases tumor growth delay in a syngeneic mouse model. Our data suggest that the higher efficacy of this combination could be partially due to increased DNA damage and delayed DNA repair process and to the inhibition of EGFR. The encouraging results of this combination demonstrated a significant improvement in treatment efficiency and therefore could be applicable in early clinical trial settings. Copyright © 2015 Elsevier Inc. All rights reserved.

  1. Induction of hyper-adhesion attenuates autoimmune-induced keratinocyte cell-cell detachment and processing of adhesion molecules via mechanisms that involve PKC.

    PubMed

    Cirillo, Nicola; Lanza, Alessandro; Prime, Stephen S

    2010-02-15

    In confluent keratinocyte monolayers, desmosomal adhesion gradually becomes calcium-independent and this is associated with an increase in the strength of intercellular adhesion (hyper-adhesion). In this study, we investigated the functional and molecular significance of hyper-adhesion in a system challenged by autoimmune sera from patients with Pemphigus Vulgaris (PV), a disease primarily targeting desmosomal adhesion. The results show that keratinocytes with calcium-independent desmosomes are resistant to disruption of intercellular contacts (acantholysis) in experimental PV. Furthermore, both the desmosomal cadherins desmoglein (Dsg) 1 and Dsg3 and the adherens junction protein E-cadherin were decreased in confluent keratinocytes at Day 1, but not in hyper-adhesive cells (Day 6) after incubation with PV serum. Pharmacological induction of the hyper-adhesive state with the PKC inhibitor Go6976 reduced both the acantholysis rate and the processing of cell adhesion molecules induced by PV serum. When the establishment of the hyper-adhesive state was prevented by cell adhesion recognition (CAR) peptides that perturbed desmosomal interactions, Go6976 could still partially attenuate PV acantholysis. Taken together, these data demonstrate that keratinocyte hyper-adhesion decreases the morphological, functional and biochemical dys-cohesive effects of PV serum via mechanisms that involve, at least in part, the function of PKC. This suggests that reinforcing keratinocyte adhesion may be a promising way to inhibit the effects of this most debilitating disorder. Crown Copyright 2009. Published by Elsevier Inc. All rights reserved.

  2. Effective D-A-D type chromophore of fumaronitrile-core and terminal alkylated bithiophene for solution-processed small molecule organic solar cells

    PubMed Central

    Nazim, M.; Ameen, Sadia; Seo, Hyung-Kee; Shin, Hyung Shik

    2015-01-01

    A new and novel organic π-conjugated chromophore (named as RCNR) based on fumaronitrile-core acceptor and terminal alkylated bithiophene was designed, synthesized and utilized as an electron-donor material for the solution-processed fabrication of bulk-heterojunction (BHJ) small molecule organic solar cells (SMOSCs). The synthesized organic chromophore exhibited a broad absorption peak near green region and strong emission peak due to the presence of strong electron-withdrawing nature of two nitrile (–CN) groups of fumaronitrile acceptor. The highest occupied molecular orbital (HOMO) energy level of –5.82 eV and the lowest unoccupied molecular orbital (LUMO) energy level of –3.54 eV were estimated for RCNR due to the strong electron-accepting tendency of –CN groups. The fabricated SMOSC devices with RCNR:PC60BM (1:3, w/w) active layer exhibited the reasonable power conversion efficiency (PCE) of ~2.69% with high short-circuit current density (JSC) of ~9.68 mA/cm2 and open circuit voltage (VOC) of ~0.79 V. PMID:26066557

  3. Ternary Solar Cells Based on Two Small Molecule Donors with Same Conjugated Backbone: The Role of Good Miscibility and Hole Relay Process.

    PubMed

    Xiao, Liangang; Liang, Tianxiang; Gao, Ke; Lai, Tianqi; Chen, Xuebin; Liu, Feng; Russell, Thomas P; Huang, Fei; Peng, Xiaobin; Cao, Yong

    2017-09-06

    Ternary organic solar cells (OSCs) are very attractive for further enhancing the power conversion efficiencies (PCEs) of binary ones but still with a single active layer. However, improving the PCEs is still challenging because a ternary cell with one more component is more complicated on phase separation behavior. If the two donors or two acceptors have similar chemical structures, good miscibility can be expected to reduce the try-and-error work. Herein, we report ternary devices based on two small molecule donors with the same backbone but different substituents. Whereas both binary devices show PCEs about 9%, the PCE of the ternary cells is enhanced to 10.17% with improved fill factor and short-circuit current values and external quantum efficiencies almost in the whole absorption wavelength region from 440 to 850 nm. The same backbone enables the donors miscible at molecular level, and the donor with a higher HOMO level plays hole relay process to facilitate the charge transportation in the ternary devices. Since side-chain engineering has been well performed to tune the active materials' energy levels in OSCs, our results suggest that their ternary systems are promising for further improving the binary cells' performance although their absorptions are not complementary.

  4. Understanding ultracold polar molecules

    NASA Astrophysics Data System (ADS)

    Julienne, Paul

    2009-05-01

    The successful production of a dense sample of ultracold ground state KRb polar molecules [1] opens the door to a new era of research with dipolar gases and lattices of such species. This feat was achieved by first associating a K and a Rb atom to make a weakly bound Feshbach molecule and then coherently transferring the population to the ground vibrational level of the molecule. This talk focuses on theoretical issues associated with making and using ultracold polar molecules, using KRb as an example [2]. Full understanding of this species and the processes by which it is made requires taking advantage of accurate molecular potentials [3], ab initio calculations [4], and the properties of the long-range potential. A highly accurate model is available for KRb for all bound states below the ground state separated atom limit and could be constructed for other species. The next step is to develop an understanding of the interactions between polar molecules, and their control in the ultracold domain. Understanding long-range interactions and threshold resonances will be crucial for future work. [1] K.-K. Ni, et al, Science 322, 231(2008). [2] P. S. Julienne, arXiv:0812:1233. [3] Pashov et al., Phys. Rev. A76, 022511 (2007). [4] S. Kotochigova, et al., arXiv:0901.1486.

  5. Mind Molecules

    PubMed Central

    Snyder, Solomon H.

    2011-01-01

    Scientific styles vary tremendously. For me, research is largely about the unfettered pursuit of novel ideas and experiments that can test multiple ideas in a day, not a year, an approach that I learned from my mentor Julius “Julie” Axelrod. This focus on creative conceptualizations has been my métier since working in the summers during medical school at the National Institutes of Health, during my two years in the Axelrod laboratory, and throughout my forty-five years at Johns Hopkins University School of Medicine. Equally important has been the “high” that emerges from brainstorming with my students. Nothing can compare with the eureka moments when, together, we sense new insights and, better yet, when high-risk, high-payoff experiments succeed. Although I have studied many different questions over the years, a common theme emerges: simple biochemical approaches to understanding molecular messengers, usually small molecules. Equally important has been identifying, purifying, and cloning the messengers' relevant biosynthetic, degradative, or target proteins, at all times seeking potential therapeutic relevance in the form of drugs. In the interests of brevity, this Reflections article is highly selective, and, with a few exceptions, literature citations are only of findings of our laboratory that illustrate notable themes. PMID:21543333

  6. Collisions of excited Na atoms with H2 molecules. I. Ab initio potential energy surfaces and qualitative discussion of the quenching process

    NASA Astrophysics Data System (ADS)

    Botschwina, Peter; Meyer, Wilfried; Hertel, Ingolf V.; Reiland, W.

    1981-12-01

    Potential energy surfaces have been calculated for the four lowest electronic states of Na (3 2S, 3 2P)+H2(1Σ+g) by means of the RHF-SCF and PNO-CEPA methods. For the so-called quenching process of Na (3 2P) by H2 at low initial translational energies (E-VRT energy transfer) the energetically most favorable path occurs in C2v symmetry, since—at intermediate Na-H2 separation—the ? 2B2 potential energy surface is attractive. From the CEPA calculations, the crossing point of minimal energy between the ? 2A1 and ? 2B2 surfaces is obtained at Rc = 3.57 a.u. and rc = 2.17 a.u. with an energy difference to the asymptotic limit (R = ∞, r = re) of -0.06 eV. It is thus classically accessible without any initial translational energy, but at low initial translational energies (˜0.1 eV) quenching will be efficient only for arrangements of collision partners close to C2v symmetry. There is little indication of an avoiding crossing with an ionic intermediate correlating asymptotically with Na+ and H2- as was assumed in previous discussions of the quenching process. The dependence of the total quenching cross sections on the initial translational energy is discussed by means of the ''absorbing sphere'' model, taking the initial zero-point vibrational energy of the hydrogen molecule into account. New experimental data of the product channel distribution in H2 for center-of-mass forward scattering are presented. The final vibrational states v' = 3, 2, 1, and 0 of H2 are populated to about 26%, 61%, 13%, and 0%, respectively. The observed distributions in H2 (and D2) may be rationalized by simple dynamic considerations on the basis of the calculated surfaces.

  7. Annual and semiannual cycles of midlatitude near-surface temperature and tropospheric baroclinicity: reanalysis data and AOGCM simulations

    NASA Astrophysics Data System (ADS)

    Lembo, Valerio; Bordi, Isabella; Speranza, Antonio

    2017-04-01

    Seasonal variability in near-surface air temperature and baroclinicity from the ECMWF ERA-Interim (ERAI) reanalysis and six coupled atmosphere-ocean general circulation models (AOGCMs) participating in the Coupled Model Intercomparison Project phase 3 and 5 (CMIP3 and CMIP5) are examined. In particular, the annual and semiannual cycles of hemispherically averaged fields are studied using spectral analysis. The aim is to assess the ability of coupled general circulation models to properly reproduce the observed amplitude and phase of these cycles, and investigate the relationship between near-surface temperature and baroclinicity (coherency and relative phase) in such frequency bands. The overall results of power spectra agree in displaying a statistically significant peak at the annual frequency in the zonally averaged fields of both hemispheres. The semiannual peak, instead, shows less power and in the NH seems to have a more regional character, as is observed in the North Pacific Ocean region. Results of bivariate analysis for such a region and Southern Hemisphere midlatitudes show some discrepancies between ERAI and model data, as well as among models, especially for the semiannual frequency. Specifically, (i) the coherency at the annual and semiannual frequency observed in the reanalysis data is well represented by models in both hemispheres, and (ii) at the annual frequency, estimates of the relative phase between near-surface temperature and baroclinicity are bounded between about ±15° around an average value of 220° (i.e., approximately 1-month phase shift), while at the semiannual frequency model phases show a wider dispersion in both hemispheres with larger errors in the estimates, denoting increased uncertainty and some disagreement among models. The most recent CMIP climate models (CMIP5) show several improvements when compared with CMIP3, but a degree of discrepancy still persists though masked by the large errors characterizing the semiannual

  8. Semi-annual report of the Department of Energy, Office of Environmental Management, Quality Assessment Program

    SciTech Connect

    Greenlaw, P.D.; Minick, S.K.

    1998-07-01

    This Quality Assessment Program (QAP) is designed to test the quality of the environmental measurements being reported to the Department of Energy by its contractors. Since 1976, real or synthetic environmental samples that have been prepared and thoroughly analyzed at the Environmental Measurements Laboratory (EML) have been distributed at first quarterly and then semi-annually to these contractors. Their results, which are returned to EML within 90 days, are compiled with EML`s results and are reported back to the participating contractors 30 days later. This report presents the results from the analysis of the 48th set of environmental quality assessment samples (QAP XLVIII) that were received on or before June 1, 1998.

  9. Office of Inspector General semiannual report to Congress, October 1, 1997--March 31, 1998

    SciTech Connect

    1998-04-01

    This Office of Inspector General (OIG) Semiannual Report to the Congress covers the period from October 1, 1997, through March 31, 1998. The report summarizes significant audit, inspection, and investigative accomplishments for the reporting period that facilitated Department of Energy (Department) efforts to improve management controls and ensure efficient and effective operation of its programs. This report highlights OIG accomplishments in support of its Strategic Plan. Narratives of the Office`s most significant reports are grouped by the strategic goals against which the OIG measures its performance. To put the OIG accomplishments for this reporting period in context, the following statistical information is provided: audit and inspection reports issued -- 47; recommendations that funds be put to better use -- $356,257,856; management commitment to taking corrective actions -- $289,106,445; criminal indictments/convictions -- 8; fines and recoveries -- $1,612,932; and investigative reports to management recommending positive change -- 21.

  10. Equatorial semiannual oscillation in zonally averaged temperature observed by the Nimbus 7 SAMS and LIMS

    NASA Astrophysics Data System (ADS)

    Delisi, Donald P.; Dunkerton, Timothy J.

    1988-04-01

    Zonally averaged equatorial temperatures obtained aboard Nimbus 7 by the stratospheric and mesospheric sounder (SAMS) are compared to comparable data obtained from the limb IR monitor of the stratosphere. The SAMS data are shown to confirm the seasonal asymmetry in semiannual wind regimes previously noted in rocketsonde observations near the equator. Two explanations for the asymmetry are considered: (1) an improved Kelvin and gravity wave transmissivity in stronger equatorial easterlies (resulting from planetary Rossby wave momentum transport), implying stronger westerly mean flow acceleration in the first cycle than in the second; and (2) evidence of strong polar-tropical coupling in the northern winter indicating that mean meridional circulations are present on a global scale.

  11. Fusion reactor materials. Semiannual progress report for period ending September 30, 1993

    SciTech Connect

    Rowcliffe, A.F.; Burn, G.L.; Knee`, S.S.; Dowker, C.L.

    1994-02-01

    This is the fifteenth in a series of semiannual technical progress reports on fusion reactor materials. This report combines research and development activities which were previously reported separately in the following progress reports: Alloy Development for Irradiation Performance; Damage Analysis and Fundamental Studies; Special purpose Materials. These activities are concerned principally with the effects of the neutronic and chemical environment on the properties and performance of reactor materials; together they form one element of the overall materials programs being conducted in support of the Magnetic Fusion Energy Program of the U.S. Department of Energy. The Fusion Reactor Materials Program is a national effort involving several national laboratories, universities, and industries. The purpose of this series of reports is to provide a working technical record for the use of the program participants, and to provide a means of communicating the efforts of materials scientists to the rest of the fusion community, both nationally and worldwide.

  12. Fusion materials semiannual progress report for period ending June 30, 1997

    SciTech Connect

    1997-08-01

    This is the twenty-second in a series of semiannual technical progress reports on fusion materials. This report combines the full spectrum of research and development activities on both metallic and non-metallic materials with primary emphasis on the effects of the neutronic and chemical environment on the properties and performance of materials for in-vessel components. This effort forms one element of the materials program being conducted in support of the Fusion Energy Sciences Program of the US Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately. Topics covered here are: vanadium alloys; silicon carbide composites; ferritic/martensitic steels; austenitic stainless steels; insulating ceramics and optical materials; solid breeding materials; radiation effects mechanistic studies and experimental methods; dosimetry damage parameters; activation calculations; materials engineering and design requirements; irradiation facilities; test matrices; and experimental methods.

  13. NRC regulatory agenda: Semiannual report, January--June 1997. Volume 16, Number 1

    SciTech Connect

    1997-08-01

    The Regulatory Agenda is a semiannual compilation of all rules on which the NRC has recently completed action, or has proposed action, or is considering action, and of all petitions for rulemaking that the NRC has received that are pending disposition. The agenda consists of two sections that have been updated through June 30, 1997. Section 1, ``Rules,`` includes (A) rules on which final action has been taken since December 31, 1996, the closing date of the last NRC Regulatory Agenda; (B) rules published previously as proposed rules on which the Commission has not taken final action; (C) rules published as advance notices of proposed rulemaking for which neither a proposed nor final rule has been issued; and (D) unpublished rules on which the NRC expects to take action. Section 2, ``Petitions for Rulemaking,`` includes (A) petitions denied or incorporated into final rules since December 31, 1996; (B) petitions incorporated into proposed rules; and (C) petitions pending staff review.

  14. Semiannual report to Congress on Inspector General audit reports, April 1, 1993--September 30, 1993

    SciTech Connect

    Not Available

    1993-11-01

    This is the Secretary of Energy`s ninth Semiannual Report to Congress to be submitted under the Inspector General Act of 1978, as amended. Pursuant to the Inspector General Act Amendments of 1988 (Public Law 100-504), agency heads are to report to Congress on the status of final action taken on audit report recommendations. This report complements a report prepared by the Department`s Office of Inspector General that provides information on audit reports issued during the period and on the status of management decisions made on Inspector General audit reports. During the period covered by this report, April 1 through September 30, 1993, the Department took final action on four contract and financial assistance audit reports. At the end of the period only three reports awaited final action. With regard to operational, financial, and preaward audits, final action was taken on 41 reports, resulting in 93 audit reports needing final action at the end of the period.

  15. TFE Verification Program: Semiannual report for the period ending October 31, 1988

    SciTech Connect

    Not Available

    1989-01-01

    The objective of the semiannual progress report is to summarize the technical results obtained during the latest reporting period. The information presented herein will include evaluated test data, design evaluations, the results of analyses and the significance of results. The program objective is to demonstrate the technology readiness of a TFE suitable for use as the basic element in a thermionic reactor with electric power output in the 0.5 to 5.0 MW(e) range, and a full-power life of 7 years. The TFE Verification Program builds directly on the technology and data base developed in the 1960s and early 1970s in an AEC/NASA program, and in the SP-100 program conducted in 1983, 1984 and 1985. In the SP-100 program, the attractive features of thermionic power conversion technology were recognized, but concern was expressed over the lack of fast reactor irradiation data. 65 figs., 36 tabs.

  16. TFE Verification Program: Semiannual report for the period ending September 30, 1987

    SciTech Connect

    Not Available

    1988-03-01

    The objective of the semiannual progress report is to summarize the technical results obtained during the latest reporting period. The information presented herein will include evaluated test data, design evaluations, the results of analyses and the significance of results. The program objective is to demonstrate the technology readiness of a TFE suitable for use as the basic element in a thermionic reactor with electric power output in the 0.5 to 5.0 MW(e) range, and a full-power life of 7 years. The TFE Verification Program builds directly on the technology and data base developed in the 1960s and early 1970s in an AEC/NASA program, and in the SP-100 program conducted in 1983, 1984 and 1985. In the SP-100 program, the attractive features of thermionic power conversion technology were recognized, but concern was expressed over the lack of fast reactor irradiation data. The TFE Verification Program addresses this concern.

  17. Semi-annual report of the Department of Energy, Office of Environmental Management, Quality Assessment Program

    SciTech Connect

    Greenlaw, P.D.

    1998-01-01

    This Quality Assessment Program (QAP) is designed to test the quality of the environmental measurements being reported to the Department of Energy by its contractors. Since 1976, real or synthetic environmental samples that have been prepared and thoroughly analyzed at the Environmental Measurements Laboratory (EML) have been distributed at first quarterly and then semi-annually to these contractors. Their results, which are returned to EML within 90 days, are compiled with EML`s results and are reported back to the participating contractors 30 days later. A summary of the reported results is available to the participants 4 days after the reporting deadline via the Internet at www.eml.doe.gov. This report presents the results from the analysis of the 47th set of environmental quality assessment samples (QAP XLVII) that were received on or before December 1, 1997.

  18. The tropical semiannual oscillations in temperature and ozone as observed my the MLS

    NASA Technical Reports Server (NTRS)

    Ray, Eric A.; Holton, James R.; Fishbein, Evan F.; Froidevaux, Lucien; Waters, J. W.

    1994-01-01

    The first two years of Microwave Limb Sounder (MLS) temperature and ozone data are used to examine the tropical upper-stratospheric semiannual oscillation (SAO). Time series analysis revealed that the strongest amplitudes of the SAO occurred near the equator at 2 mb for temperature and 5 mb for ozone, consistent with previous observations. The first cycle of each calendar year was observed to have a much higher amplitude than the second cycle except for the warm phase in late 1991. Interannual variability in the strength of the SAO, such as the much stronger warm phase of late 1991 as compared to late 1992, was significant and could be partly attributed to the Quasi-Biennial Oscillation (QBO) in zonal wind.

  19. Office of Inspector General semiannual report to Congress, April 1--September 30, 1995

    SciTech Connect

    1995-10-01

    This Office of Inspector General Semiannual Report to the Congress covers the period from April 1 through September 30, 1995. The report summarizes significant audit, inspection, and investigative accomplishments for the reporting period, a large portion of which facilitated Department of Energy management efforts to improve management controls and ensure efficient and effective operation of its programs. Narratives of the most significant reports are grouped by six primary performance measures which the Office of Inspector General uses to gauge its attainment of the outcomes established in the Office of Inspector General Strategic Plan. The common thread that ties the performance measures together is their emphasis on supporting Department efforts to produce high quality products at the lowest possible cost to the taxpayer. The six performance measures present outcomes of Office of Inspector General work in terms of improvements in Department programs and operations.

  20. Initial performance of a modified milestones global evaluation tool for semiannual evaluation of residents by faculty.

    PubMed

    Borman, Karen R; Augustine, Rebecca; Leibrandt, Thomas; Pezzi, Christopher M; Kukora, John S

    2013-01-01

    To determine whether faculty could successfully evaluate residents using a competency-based modified Milestones global evaluation tool. A program's leadership team modified a draft Surgery Milestones Working Group summative global assessment instrument into a modified Milestones tool (MMT) for local use during faculty meetings devoted to semiannual resident review. Residents were scored on 15 items spanning all competencies using an 8-point graphic response scale; unstructured comments also were solicited. Arithmetic means were computed at the resident and postgraduate year cohort levels for items and competency item sets. Score ranges (highest minus lowest score) were calculated; variability was termed "low" (range <2.0 points), "moderate" (range = 2.0), or "high" (range >2.0). A subset of "low" was designated "small" (1.0-1.9). Trends were sought among item, competency, and total Milestones scores. MMT correlations with examination scores and multisource (360°) assessments were explored. The success of implementing MMT was judged using published criteria for educational assessment methods. Fully accredited, independently sponsored residency. Program leaders and 22 faculty members (71% voluntary, mean 12y of experience). Twenty-six residents were assessed, yielding 7 to 13 evaluations for MMT per categorical resident and 3 to 6 per preliminary trainee. Scores spanned the entire response scale. All MMT evaluations included narrative comments. Individual resident score variability was low (96% within competencies and 92% across competencies). Subset analysis showed that small variations were common (35% within competencies and 54% across competencies). Postgraduate year cohort variability was higher (61% moderate or high within competencies and 50% across competencies). Cohort scores at the item, competency, and total score levels exhibited rising trajectories, suggesting MMT construct validity. MMT scores did not demonstrate concurrent validity, correlating poorly

  1. MHD Technology Transfer, Integration and Review Committee. Second semiannual status report, July 1988--March 1989

    SciTech Connect

    Not Available

    1989-10-01

    As part of the MHD Integrated Topping Cycle (ITC) project, TRW was given the responsibility to organize, charter and co-chair, with the Department of Energy (DOE), an MHD Technology Transfer, Integration and Review Committee (TTIRC). The Charter of the TTIRC, which was approved by the DOE in June 1988 and distributed to the committee members, is included as part of this Summary. As stated in the Charter, the purpose of this committee is to: (1) review all Proof-of-Concept (POC) projects and schedules in the national MHD program; to assess their compatibility with each other and the first commercial MHD retrofit plant; (2) establish and implement technology transfer formats for users of this technology; (3) identify interfaces, issues, and funding structures directly impacting the success of the commercial retrofit; (4) investigate and identify the manner in which, and by whom, the above should be resolved; and (5) investigate and assess other participation (foreign and domestic) in the US MHD Program. The DOE fiscal year 1989 MHD Program Plan Schedule is included at the end of this Summary. The MHD Technology Transfer, Integration and Review Committee`s activities to date have focused primarily on the ``technology transfer`` aspects of its charter. It has provided a forum for the dissemination of technical and programmatic information among workers in the field of MHD and to the potential end users, the utilities, by holding semi-annual meetings. The committee publishes this semi-annual report, which presents in Sections 2 through 11 capsule summaries of technical progress for all DOE Proof-of-Concept MHD contracts and major test facilities.

  2. Annual and semiannual variations of the geomagnetic field at equatorial locations

    USGS Publications Warehouse

    Campbell, W.H.

    1981-01-01

    For a year of quiet solar-activity level, geomagnetic records from American hemisphere observatories located between about 0?? and 30?? north geomagnetic latitude were used to compare the annual and semiannual variations of the geomagnetic field associated with three separate contributions: (a) the quiet-day midnight level, MDT; (b) the solar-quiet daily variation, Sq; (c) the quiet-time lunar semidiurnal tidal variation, L(12). Four Fourier spectral constituents (24, 12, 8, 6 h periods) of Sq were individually treated. All three orthogonal elements (H, D and Z) were included in the study. The MDT changes show a dominant semiannual variation having a range of about 7 gammas in H and a dominant annual variation in Z having a range of over 8 gammas. These changes seem to be a seasonal response to the nightside distortions by magnetospheric currents. There is a slow decrease in MDT amplitudes with increasing latitude. The Sq changes follow the patterns expected from an equatorial ionospheric dynamo electrojet current system. The dominant seasonal variations occur in H having a range of over 21 gammas for the 24 h period and over 12 gammas for the 12 h period spectral components. The higher-order components are relatively smaller in size. The Sq(H) amplitudes decrease rapidly with increasing latitude. Magnetospheric contributions to the equatorial Sq must be less than a few per cent of the observed magnitude. The L(12) variation shows the ionospheric electrojet features by the dominance of H and the rapid decrease in amplitude with latitude away from the equator. However, the seasonal variation range of over 7 gammas has a maximum in early February and minimum in late June that is not presently explainable by the known ionospheric conductivity and tidal behavior. ?? 1981.

  3. Electron-excited molecule interactions

    SciTech Connect

    Christophorou, L.G. Tennessee Univ., Knoxville, TN . Dept. of Physics)

    1991-01-01

    In this paper the limited but significant knowledge to date on electron scattering from vibrationally/rotationally excited molecules and electron scattering from and electron impact ionization of electronically excited molecules is briefly summarized and discussed. The profound effects of the internal energy content of a molecule on its electron attachment properties are highlighted focusing in particular on electron attachment to vibrationally/rotationally and to electronically excited molecules. The limited knowledge to date on electron-excited molecule interactions clearly shows that the cross sections for certain electron-molecule collision processes can be very different from those involving ground state molecules. For example, optically enhanced electron attachment studies have shown that electron attachment to electronically excited molecules can occur with cross sections 10{sup 6} to 10{sup 7} times larger compared to ground state molecules. The study of electron-excited molecule interactions offers many experimental and theoretical challenges and opportunities and is both of fundamental and technological significance. 54 refs., 15 figs.

  4. ZRBA1, a Mixed EGFR/DNA Targeting Molecule, Potentiates Radiation Response Through Delayed DNA Damage Repair Process in a Triple Negative Breast Cancer Model

    SciTech Connect

    Heravi, Mitra; Kumala, Slawomir; Rachid, Zakaria; Jean-Claude, Bertrand J.; Radzioch, Danuta; Muanza, Thierry M.

    2015-06-01

    Purpose: ZRBA1 is a combi-molecule designed to induce DNA alkylating lesions and to block epidermal growth factor receptor (EGFR) TK domain. Inasmuch as ZRBA1 downregulates the EGFR TK-mediated antisurvival signaling and induces DNA damage, we postulated that it might be a radiosensitizer. The aim of this study was to further investigate the potentiating effect of ZRBA1 in combination with radiation and to elucidate the possible mechanisms of interaction between these 2 treatment modalities. Methods and Materials: The triple negative human breast MDA-MB-468 cancer cell line and mouse mammary cancer 4T1 cell line were used in this study. Clonogenic assay, Western blot analysis, and DNA damage analysis were performed at multiple time points after treatment. To confirm our in vitro findings, in vivo tumor growth delay assay was performed. Results: Our results show that a combination of ZRBA1 and radiation increases the radiation sensitivity of both cell lines significantly with a dose enhancement factor of 1.56, induces significant numbers of DNA strand breaks, prolongs higher DNA damage up to 24 hours after treatment, and significantly increases tumor growth delay in a syngeneic mouse model. Conclusions: Our data suggest that the higher efficacy of this combination could be partially due to increased DNA damage and delayed DNA repair process and to the inhibition of EGFR. The encouraging results of this combination demonstrated a significant improvement in treatment efficiency and therefore could be applicable in early clinical trial settings.

  5. [Comparative efficacy of annual and semi-annual doses of ivermectin or diethylcarbamazine for the prevention of lymphatic filariasis].

    PubMed

    Cartel, J L; Spiegel, A; Nguyen, L; Moulia-Pelat, J P; Martin, P M; Roux, J F

    1992-01-01

    A double blind randomized trial was performed on 58 healthy Polynesian Wuchereria bancrofti carriers, they were randomly allocated to treatments with repeated annual or semi-annual doses of ivermectin 100 mcg/kg or diethylcarbamazine (DEC) 3 mg/kg, or with repeated annual doses of DEC 6 mg/kg. After the 12-month treatment, the clearance of microfilaremia was complete in 7 of the 23 carriers treated with ivermectin and in 3 of the 35 treated with DEC. Nine months after that treatment, the lowest mean microfilaremia was observed in the carriers treated with 3 successive semi-annual doses of DEC 3 mg/kg. Adverse reactions were comparable in carriers treated with ivermectin and in those treated with DEC, and did not interfere with daily activities of treated subjects.

  6. The semiannual variation of great geomagnetic storms and the postshock Russell-Mcpherron effect preceding coronal mass ejecta

    NASA Technical Reports Server (NTRS)

    Crooker, N. U.; Cliver, E. W.; Tsurutani, B. T.

    1992-01-01

    Recent results indicate that the intense southward interplanetary magnetic fields (IMFs) responsible for great storms can reside in the postshock plasma preceding the driver gas of coronal mass ejections (CMEs) as well as in the driver gas itself. It is proposed here that strong southward fields in the postshock flow result from a major increase in the Russell-McPherron polarity effect through a systematic pattern of compression and draping within the ecliptic plane. Differential compression at the shock increases the Parker spiral angle and, consequently, the azimuthal field component that projects as a southward component onto earth's dipole axis. The resulting prediction is that southward fields in the postshock plasma maximize at the spring (fall) equinox in CMEs emerging from toward (away) sectors. This pattern produces a strong semiannual variation in postshock IMF orientation and may account at least in part for the observed semiannual variation of the occurrence of great geomagnetic storms.

  7. The semiannual variation of great geomagnetic storms and the postshock Russell-Mcpherron effect preceding coronal mass ejecta

    NASA Technical Reports Server (NTRS)

    Crooker, N. U.; Cliver, E. W.; Tsurutani, B. T.

    1992-01-01

    Recent results indicate that the intense southward interplanetary magnetic fields (IMFs) responsible for great storms can reside in the postshock plasma preceding the driver gas of coronal mass ejections (CMEs) as well as in the driver gas itself. It is proposed here that strong southward fields in the postshock flow result from a major increase in the Russell-McPherron polarity effect through a systematic pattern of compression and draping within the ecliptic plane. Differential compression at the shock increases the Parker spiral angle and, consequently, the azimuthal field component that projects as a southward component onto earth's dipole axis. The resulting prediction is that southward fields in the postshock plasma maximize at the spring (fall) equinox in CMEs emerging from toward (away) sectors. This pattern produces a strong semiannual variation in postshock IMF orientation and may account at least in part for the observed semiannual variation of the occurrence of great geomagnetic storms.

  8. Collisions of excited Na atoms with H/sub 2/ molecules. I. Ab initio potential energy surfaces and qualitative discussion of the quenching process

    SciTech Connect

    Botschwina, P.; Meyer, W.; Hertel, I.V.; Reiland, W.

    1981-12-01

    Potential energy surfaces have been calculated for the four lowest electronic states of Na (3 /sup 2/S, 3 /sup 2/P)+H/sub 2/(/sup 1/..sigma../sup +//sub g/) by means of the RHF--SCF and PNO--CEPA methods. For the so-called quenching process of Na (3 /sup 2/P) by H/sub 2/ at low initial translational energies (E--VRT energy transfer) the energetically most favorable path occurs in C/sub 2v/ symmetry, since: at intermediate Na--H/sub 2/ separation: the A /sup 2/B/sub 2/ potential energy surface is attractive. From the CEPA calculations, the crossing point of minimal energy between the X /sup 2/A/sub 1/ and A /sup 2/B/sub 2/ surfaces is obtained at R/sub c/ = 3.57 a.u. and r/sub c/ = 2.17 a.u. with an energy difference to the asymptotic limit (R = infinity, r = r/sub e/) of -0.06 eV. It is thus classically accessible without any initial translational energy, but at low initial translational energies (approx.0.1 eV) quenching will be efficient only for arrangements of collision partners close to C/sub 2v/ symmetry. There is little indication of an avoiding crossing with an ionic intermediate correlating asymptotically with Na/sup +/ and H/sub 2//sup -/ as was assumed in previous discussions of the quenching process. The dependence of the total quenching cross sections on the initial translational energy is discussed by means of the ''absorbing sphere'' model, taking the initial zero-point vibrational energy of the hydrogen molecule into account. New experimental data of the product channel distribution in H/sub 2/ for center-of-mass forward scattering are presented. The final vibrational states v' = 3, 2, 1, and 0 of H/sub 2/ are populated to about 26%, 61%, 13%, and 0%, respectively. The observed distributions in H/sub 2/ (and D/sub 2/) may be rationalized by simple dynamic considerations on the basis of the calculated surfaces.

  9. Final Environmental Assessment for the Semiannual Joint Integrated Fires Exercises at Avon Park Air Force Range, Florida

    DTIC Science & Technology

    2006-04-01

    information if it does not display a currently valid OMB control number. 1. REPORT DATE APR 2006 2. REPORT TYPE 3. DATES COVERED 00-00-2006 to 00... Type of statement: Environmental Assessment Cooperating agencies: None For further information: Paul Ebersbach 18 ASOG, DET...and Alpha Grade into the South Tactical Range. 2.1.7 Firing RRPRs into the South Tactical Range on a semiannual basis. 2.1.8

  10. MHD Technology Transfer, Integration and Review Committee. Fifth semi-annual status report, April 1990--September 1990

    SciTech Connect

    Not Available

    1992-01-01

    This fifth semi-annual status report of the MHD Technology Transfer, Integration, and Review Committee (TTIRC) summarizes activities of the TTIRC during the period April 1990 through September 1990. It includes summaries and minutes of committee meetings, progress summaries of ongoing Proof-of-Concept (POC) contracts, discussions pertaining to technical integration issues in the POC program, and planned activities for the next six months.

  11. Semiannual report

    NASA Technical Reports Server (NTRS)

    1995-01-01

    This report summarizes research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, fluid mechanics, and computer science during the period 1 Oct. 1994 - 31 Mar. 1995.

  12. Analysis of Satellite sea surface temperature time series in the Brazil-Malvinas Current confluence region: Dominance of the annual and semiannual periods

    NASA Astrophysics Data System (ADS)

    Provost, Christine; Garcia, Omar; GarçOn, VéRonique

    1992-11-01

    We study the dominant periodic variations of sea surface temperature (SST) in the Brazil-Malvinas Confluence region from a satellite-derived data set compiled by Olson et al. (1988). This data set is composed of 202 sea surface temperature images with a 4 × 4 km resolution and extends over 3 years (from July 1984 to July 1987). Each image is a 5-day composite. The dominant signal, as already observed by Podesta et al. (1991), has a 1-year period. We first fit a single-frequency sinusoidal model of the annual cycle in order to estimate mean temperature, amplitude, and phase at 159 points uniformly distributed over the region. The residuals are generally small (less than 2°C). The largest departures from this cycle are located either in the Brazil-Malvinas frontal region or in the southeastern part of the region. Other periods in SST variations are identified by means of periodograms of the 159 residual time series in which the annual cycle has been substracted. The periodograms show that a semiannual frequency signal is present at almost every location. The ratio of the semiannual amplitude to the annual amplitude increases southward from 0% at 30°S to reach up to 45% at 50°S. In the south the semiannual signal creates an asymmetry, and the resulting (total) annual cycle has a cold period (winter) longer than the warm one (summer). In the frontal region the annual and semiannual signals have an important interannual variation. This semiannual frequency is associated with the semiannual wave present in the atmospheric forcing of the southern hemisphere. Differential heating over the mid-latitude oceans and the high-latitude ice-covered Antarctic Continent has been suggested as the cause of this semiannual wave (Van Loon, 1967).

  13. Influence of silver nanoparticles on relaxation processes and efficiency of dipole – dipole energy transfer between dye molecules in polymethylmethacrylate films

    SciTech Connect

    Bryukhanov, V V; Borkunov, R Yu; Tsarkov, M V; Konstantinova, E I; Slezhkin, V A

    2015-10-31

    The fluorescence and phosphorescence of dyes in thin polymethylmethacrylate (PMMA) films in the presence of ablated silver nanoparticles has been investigated in a wide temperature range by methods of femtosecond and picosecond laser photoexcitation. The fluorescence and phosphorescence times, as well as spectral and kinetic characteristics of rhodamine 6G (R6G) molecules in PMMA films are measured in a temperature range of 80 – 330 K. The temperature quenching activation energy of the fluorescence of R6G molecules in the presence of ablated silver nanoparticles is found. The vibrational relaxation rate of R6G in PMMA films is estimated, the efficiency of the dipole – dipole electron energy transfer between R6G and brilliant green molecules (enhanced by plasmonic interaction with ablated silver nanoparticles) is analysed, and the constants of this energy transfer are determined. (nanophotonics)

  14. Star-shaped D-A small molecules based on diketopyrrolopyrrole and triphenylamine for efficient solution-processed organic solar cells.

    PubMed

    Pan, Jun-Ying; Zuo, Li-Jian; Hu, Xiao-Lian; Fu, Wei-Fei; Chen, Mei-Rong; Fu, Lei; Gu, Xiao; Shi, Hang-Qi; Shi, Min-Min; Li, Han-Ying; Chen, Hong-Zheng

    2013-02-01

    Three star-shaped D-A small molecules, (P-DPP)(3)TPA, (4-FP-DPP)(3)TPA, and (4-BuP-DPP)(3)TPA were designed and synthesized with triphenylamine (TPA) as the core, diketopyrrolopyrrole (DPP) as the arm, and unsubstituted or substituted benzene rings (phenyl, P; 4-fluoro-phenyl, 4-FP; 4-n-butyl-phenyl, 4-BuP) as the end-group. All the three small molecules show relatively narrow optical band gaps (1.68-1.72 eV) and low-lying highest occupied molecular orbital (HOMO) energy levels (-5.09∼-5.13 eV), implying that they are potentially good electron donors for organic solar cells (OSCs). Then, photovoltaic properties of the small molecules blended with [6,6]-phenyl-C(61)-butyric acid methyl ester (PC(61)BM) as electron acceptor were investigated. Among three small molecules, the OSC based on (P-DPP)(3)TPA:PCBM blend exhibits a best power conversion efficiency (PCE) of 2.98% with an open-circuit voltage (V(oc)) of 0.72 V, a short-circuit current density (J(sc)) of 7.94 mA/cm(2), and a fill factor (FF) of 52.2%, which may be ascribed to the highest hole mobility of (P-DPP)(3)TPA.

  15. Indan-1,3-dione electron-acceptor small molecules for solution-processable solar cells: a structure-property correlation.

    PubMed

    Winzenberg, Kevin N; Kemppinen, Peter; Scholes, Fiona H; Collis, Gavin E; Shu, Ying; Singh, Th Birendra; Bilic, Ante; Forsyth, Craig M; Watkins, Scott E

    2013-07-18

    A structure-device performance correlation in bulk heterojunction solar cells for new indandione-derived small molecule electron acceptors, FEHIDT and F8IDT, is presented. Devices based on the former exhibit higher power conversion efficiency (2.4%) and higher open circuit voltage, a finding consistent with reduced intermolecular interactions.

  16. Magnetoassociation of KRb Feshbach molecules

    NASA Astrophysics Data System (ADS)

    Cumby, Tyler; Perreault, John; Shewmon, Ruth; Jin, Deborah

    2010-03-01

    I will discuss experiments in which we study the creation of ^40K^87Rb Feshbach molecules via magnetoassociation. We measure the molecule number as a function of the magnetic-field sweep rate through the interspecies Feshbach resonance and explore the dependence of association on the initial atom gas conditions. This study of the Feshbach molecule creation process may be relevant to the production of ultracold polar molecules, where magnetoassociated Feshbach molecules can be a crucial first step [1].[4pt] [1] K.-K. Ni, S. Ospelkaus, M. H. G. de Miranda, A. Peer, B. Neyenhuis, J. J. Zirbel, S. Kotochigova, P. S. Julienne, D. S. Jin, and J. Ye, Science, 2008, 322, 231-235.

  17. Magnetoassociation of KRb Feshbach molecules

    NASA Astrophysics Data System (ADS)

    Cumby, Tyler; Perreault, John; Shewmon, Ruth; Jin, Deborah

    2010-03-01

    I will discuss experiments in which we study the creation of ^40K^87Rb Feshbach molecules via magnetoassociation. We measure the molecule number as a function of the magnetic-field sweep rate through the interspecies Feshbach resonance and explore the dependence of association on the initial atom gas conditions. This study of the Feshbach molecule creation process may be relevant to the production of ultracold polar molecules, where magnetoassociated Feshbach molecules can be a crucial first step [1].[4pt] [1] K.-K. Ni, S. Ospelkaus, M. H. G. de Miranda, A. Peer, B. Neyenhuis, J. J. Zirbel, S. Kotochigova, P. S. Julienne, D. S. Jin, and J. Ye, Science, 2008, 322, 231- 235.

  18. Solution-Processable Small Molecules for High-Performance Organic Solar Cells with Rigidly Fluorinated 2,2'-Bithiophene Central Cores.

    PubMed

    Wang, Zhenguo; Li, Zuojia; Liu, Jiang; Mei, Jun; Li, Kai; Li, Ying; Peng, Qiang

    2016-05-11

    Small molecules containing an oligothiophene backbone are simple but effective donor materials for organic solar cells (OSCs). In this work, we incorporated rigid 2,2'-bithiophene (BT) or fluorinated 2,2'-bithiophene (FBT) as the central unit and synthesized two novel small molecules (TTH-D3TRh and TTF-D3TRh) with an oligothiophene backbone and 3-ethylrhodanine end groups. Both molecules exhibit good thermal stability as well as strong and broad absorption. The fluorination of the BT central unit made TTF-D3TRh possess a relatively lower-lying HOMO energy level, better molecular stacking, and higher mobility in comparison with those of TTH-D3TRh. Conventional OSCs were fabricated to evaluate the photovoltaic property of these two molecules. Without extra post-treatments, the conventional devices based on TTH-D3TRh and TTF-D3TRh showed high PCEs of 5.00 and 5.80%, respectively. The TTF-D3TRh device exhibited a higher performance, which can be attributed to the improved Voc of 0.92 V, Jsc of 10.04 mA cm(-2), and FF of 62.8%. Using an inverted device structure, the OSCs based on TTH-D3TRh and TTF-D3TRh showed largely elevated PCEs of 5.89 and 7.14%, respectively. The results indicated that the structurally simple TTH-D3TRh and TTF-D3TR molecules are potential donor candidates for achieving highly efficient OSCs. The strategy of fluorination and rigidity designation is an effective approach to develop oligothiophene-based small molecular donors for highly efficient solar cell applications.

  19. Environmental Restoration/Waste Management - applied technology. Semiannual report, July 1992--June 1993, Volume 1, Number 2, and Volume 2, Number 1

    SciTech Connect

    Murphy, P.W.; Bruner, J.M.; Price, M.E.; Talaber, C.J.

    1993-12-31

    The Environmental Restoration/Waste Management-Applied Technology (ER/WM-AT) Program is developing restoration and waste treatment technologies needed for the ongoing environmental cleanup of the Department of Energy (DOE) complex and treatment technologies for wastes generated in the nuclear weapons production complex. These technologies can find application to similar problems nationally and even worldwide. They can be demonstrated at the Livermore site, which mirrors (on a small scale) many of the environmental and waste management problems of the rest of the DOE complex. Their commercialization should speed cleanup, and the scope of the task should make it attractive to US industry. The articles in this semi-annual report cover the following areas: ceramic final forms for residues of mixed waste treatment; treatment of wastes containing sodium nitrate; actinide volatility in thermal oxidation processes; in situ microbial filters for remediating contaminated soils; collaboration with scientists in the former Soviet Union on new ER/WM technologies; and fiber-optic sensors for chlorinated organic solvents.

  20. Ultrafast electron diffraction from aligned molecules

    SciTech Connect

    Centurion, Martin

    2015-08-17

    The aim of this project was to record time-resolved electron diffraction patterns of aligned molecules and to reconstruct the 3D molecular structure. The molecules are aligned non-adiabatically using a femtosecond laser pulse. A femtosecond electron pulse then records a diffraction pattern while the molecules are aligned. The diffraction patterns are then be processed to obtain the molecular structure.

  1. Correlation of some radiative processes resulting from electronic and vibrational spectra of a CN molecule excited in an electric arc discharge

    NASA Astrophysics Data System (ADS)

    Iova, Iancu; Bazavan, M.; Biloiu, Costel; Ilie, Gheorghe; Bulinski, M.

    1998-07-01

    The molecular vibration temperature of the plasma from an interrupt arc discharge in air at atmospheric pressure and at current intensities in the range of 2 divided by 8 Amperes, using electronic and vibration bands of violet [B2(Sigma) + - X2(Sigma) +] and red [A2(Pi) - X2(Sigma) +] systems of the CN molecule was determined. At the equilibrium temperature of 6400 K, 27 lines of Ti, contained as impurity in coal electrode were found. These spectral lines were found in the 247 divided by 340 nm spectral range, having the upper levels of the excitation energies in the 3.60 divided by 5.69 eV range, in the neighborhood of the energy of dissociation of the CN molecule on the fundamental electronic state. Some considerations about the vibrational states populations are also made.

  2. Model molecules mimicking asphaltenes.

    PubMed

    Sjöblom, Johan; Simon, Sébastien; Xu, Zhenghe

    2015-04-01

    Asphalthenes are typically defined as the fraction of petroleum insoluble in n-alkanes (typically heptane, but also hexane or pentane) but soluble in toluene. This fraction causes problems of emulsion formation and deposition/precipitation during crude oil production, processing and transport. From the definition it follows that asphaltenes are not a homogeneous fraction but is composed of molecules polydisperse in molecular weight, structure and functionalities. Their complexity makes the understanding of their properties difficult. Proper model molecules with well-defined structures which can resemble the properties of real asphaltenes can help to improve this understanding. Over the last ten years different research groups have proposed different asphaltene model molecules and studied them to determine how well they can mimic the properties of asphaltenes and determine the mechanisms behind the properties of asphaltenes. This article reviews the properties of the different classes of model compounds proposed and present their properties by comparison with fractionated asphaltenes. After presenting the interest of developing model asphaltenes, the composition and properties of asphaltenes are presented, followed by the presentation of approaches and accomplishments of different schools working on asphaltene model compounds. The presentation of bulk and interfacial properties of perylene-based model asphaltene compounds developed by Sjöblom et al. is the subject of the next part. Finally the emulsion-stabilization properties of fractionated asphaltenes and model asphaltene compounds is presented and discussed.

  3. Graphene-regulated cardiomyogenic differentiation process of mesenchymal stem cells by enhancing the expression of extracellular matrix proteins and cell signaling molecules.

    PubMed

    Park, Jooyeon; Park, Subeom; Ryu, Seungmi; Bhang, Suk Ho; Kim, Jangho; Yoon, Jeong-Kee; Park, Yoon Hwan; Cho, Sung-Pyo; Lee, Seahyoung; Hong, Byung Hee; Kim, Byung-Soo

    2014-02-01

    The potential of graphene as a mesenchymal stem cell (MSC) culture substrate to promote cardiomyogenic differentiation is demonstrated. Graphene exhibits no sign of cytotoxicity for stem cell culture. MSCs are committed toward cardiomyogenic lineage by simply culturing them on graphene. This may be attributed, at least partially, to the regulation of expression levels of extracellular matrix and signaling molecules. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Fusion reactor materials semiannual progress report for period ending September 30, 1990

    SciTech Connect

    Not Available

    1991-04-01

    This is the ninth in series of semiannual technical progress reports on fusion reactor materials. This report combines research and development activities which were previously reported separately in the following technical progress reports: Alloy Development of Irradiation Performance; Damage Analysis and Fundamental Studies; and Special Purpose Materials. These activities are concerned principally with the effects of the neutronic and chemical environment on the properties and performance of reactor materials; together they form one element of the overall materials program being conducted in support of the Magnetic Fusion Energy Program of the US Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately. The Fusion Reactor Materials Program is a national effort involving several national laboratories, universities, and industries. The purpose of this series of reports is to provide a working technical record for the use of the program participants, and to provide a means of communicating the efforts of materials scientists to the rest of the fusion community, both nationally and worldwide.

  5. Preparing for a Semiannual IACUC Inspection of a Satellite Zebrafish (Danio rerio) Facility

    PubMed Central

    Koerber, Amy S; Kalishman, Jennifer

    2009-01-01

    Institutions worldwide have experienced a rapid growth in the use of zebrafish as a research model for a variety of molecular and genetic studies of vertebrate development. This expansion in zebrafish research essentially has outpaced the establishment of specific recommendations for the care and use of fish in research. In some cases, this situation has created a dilemma where an Institutional Animal Care and Use Committee, which is responsible for oversight of vertebrate animal research, is not fully prepared to undertake this role for a decentralized zebrafish facility. IACUC inspectors will be more equipped to ask pertinent questions by understanding the basic principles of zebrafish health and facility management. Concurrently, zebrafish facility managers can contribute to the progress of a semiannual facility inspection by maintaining fully accessible operating records. In the context of presenting a well-established and useful model of zebrafish management and recordkeeping to the zebrafish facility operator, the information we present here also prepares a potential IACUC inspector to conduct a constructive and positive inspection. PMID:19245754

  6. Global features of the semiannual oscillation in stratospheric temperatures and comparison between seasons and hemispheres

    NASA Technical Reports Server (NTRS)

    Gao, Xin-Hai; Yu, Wen-Bi; Stanford, John L.

    1987-01-01

    Four years of satellite-derived microwave and infrared radiances are analyzed for the three-dimensional and seasonal variation of semiannual oscillations (SAO) in stratospheric temperatures, with particular focus on high latitudes, to investigate the effect of stratospheric warmings on SAO. Separate analyses of individual seasons in each hemisphere reveal that the strongest SAO in temperature occur in the Northern Hemisphere (NH) winter polar upper stratosphere. These results, together with the latitudinal structure of the temperature SAO and the fact that the NH polar SAO is nearly out of phase with the lower latitude SAO, are consistent with the existence of a global-scale, meridional circulation on the SAO time scale. The results suggest that polar stratospheric warmings are an important source of SAO in both high and low latitude stratospheric temperature fields. Interannual variations, three-dimensional phase structure, and zonal asymmetry of SAO are also detailed. The SH stratospheric SAO is dominated by a localized feature in the high-latitude, eastern hemisphere which tilts westward with height.

  7. Fusion materials semiannual progress report for the period ending March 31, 1995

    SciTech Connect

    1995-07-01

    This is the eighteenth in a series of semiannual technical progress reports on fusion materials. This report combines research and development activities which were previously reported separately in the following progress reports: {sm_bullet} Alloy Development for Irradiation Performance. {sm_bullet} Damage Analysis and Fundamental Studies. {sm_bullet} Special Purpose Materials. These activities are concerned principally with the effects of the neutronic and chemical environment on the properties and performance of reactor materials; together they form one element of the overall materials programs being conducted in support of the Magnetic Fusion Energy Program of the US Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately. The Fusion Materials Program is a national effort involving several national laboratories, universities, and industries. The purpose of this series of reports is to provide a working technical record for the use of the program participants, and to provide a means of communicating the efforts of materials scientists to the rest of the fusion community, both nationally and worldwide. This report has been compiled and edited under the guidance of A.F. Rowcliffe by Gabrielle Burn, Oak Ridge National Laboratory. Their efforts, and the efforts of the many persons who made technical contributions, are gratefully acknowledged.

  8. Fusion reactor materials semiannual progress report for the period ending September 30, 1989

    SciTech Connect

    none,

    1989-01-01

    This is the seventh in a series of semiannual technical progress reports on fusion reactor materials. This report combines research and development activities which were previously reported separately in the following technical progress reports: alloy development for irradiation performance, damage analysis and fundamental studies, and special purpose materials. These activities are concerned principally with the effects of the neutronic and chemical environment on the properties and performance of reactor materials; together they form one element of the overall materials program being conducted in support of the Magnetic Fusion Energy Program of the US Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately. The Fusion Reactor Materials Program is a national effort involving several national laboratories, universities, and industries. The purpose of this series of reports is to provide a working technical record for the use of the program participants, and to provide a means of communicating the efforts of materials scientists to the rest of the fusion community, both nationally and worldwide.

  9. Global features of the semiannual oscillation in stratospheric temperatures and comparison between seasons and hemispheres

    NASA Technical Reports Server (NTRS)

    Gao, Xin-Hai; Yu, Wen-Bi; Stanford, John L.

    1987-01-01

    Four years of satellite-derived microwave and infrared radiances are analyzed for the three-dimensional and seasonal variation of semiannual oscillations (SAO) in stratospheric temperatures, with particular focus on high latitudes, to investigate the effect of stratospheric warmings on SAO. Separate analyses of individual seasons in each hemisphere reveal that the strongest SAO in temperature occur in the Northern Hemisphere (NH) winter polar upper stratosphere. These results, together with the latitudinal structure of the temperature SAO and the fact that the NH polar SAO is nearly out of phase with the lower latitude SAO, are consistent with the existence of a global-scale, meridional circulation on the SAO time scale. The results suggest that polar stratospheric warmings are an important source of SAO in both high and low latitude stratospheric temperature fields. Interannual variations, three-dimensional phase structure, and zonal asymmetry of SAO are also detailed. The SH stratospheric SAO is dominated by a localized feature in the high-latitude, eastern hemisphere which tilts westward with height.

  10. Semiannual report to Congress on Inspector General audit reports, April 1--September 30, 1996

    SciTech Connect

    1996-11-01

    This is the Secretary of Energy`s fifteenth Semiannual Report to Congress submitted under the Inspector General Act of 1978, as amended. Pursuant to the Inspector General Act Amendments of 1988 (Public Law 100-504), agency heads are to report to Congress on the status of final action taken on audit report recommendations. This report complements a report prepared by the Department`s Office of Inspector General that provides information on audit reports issued during the period and on the status of management decisions made on Inspector General audit reports. During the period covered by this report, April 1, 1996, through September 30, 1996, the Department took final action on 34 operational, financial, and preaward audit reports. At the end of the period 87 reports awaited final action. Final action was taken on seven contract and financial assistance audits, leaving two reports requiring final action at the end of the period. This report has three sections. The first section outlines significant audit resolution and followup accomplishments achieved by the Department during the reporting period. The second section contains the statistical tables that illustrate the status of final action on Inspector Generator audit reports. The third lists the audit reports that are one year or more past management decision and have not completed final action. This section also provides the status of corrective action on each of these reports.

  11. TFE Verification Program. Semiannual report for the period ending March 31, 1993

    SciTech Connect

    Not Available

    1993-05-01

    The objective of the semiannual progress report is to summarize the technical results obtained during the latest reporting period. The information presented herein will include evaluated test data, design evaluations, the results of analyses and the significance of results. The program objective is to demonstrate the technology readiness of a TFE (thermionic fuel element) suitable for use as the basic element in a thermionic reactor with electric power output in the 0.5 to 5.0 MW(e) range, and a full-power life of 7 years. The TFE Verification Program builds directly on the technology and data base developed in the 1960s and early 1970s in an AEC/NASA program, and in the SP-100 program conducted in 1983, 1984 and 1985. In the SP-100 program, the attractive features of thermionic power conversion technology were recognized but concern was expressed over the lack of fast reactor irradiation data. The TFE Verification Program addresses this concern.

  12. Semiannual report to Congress on Inspector General audit reports: October 1, 1995--March 31, 1996

    SciTech Connect

    1996-05-01

    This is the Secretary of Energy`s fourteenth Semiannual Report to Congress submitted under the Inspector General Act of 1978, as amended. Pursuant to the Inspector General Act Amendments of 1988 (Public Law 100-504), agency heads are to report to Congress on the status of final action taken on audit report recommendations. This report complements a report prepared by the Department`s Office of Inspector General that provides information on audit reports issued during the period and on the status of management decisions made on Inspector General audit reports. During the period covered by this report, October 1, 1995, through March 31, 1996, the Department took final action on 35 operational, financial, and preaward audit reports. At the end of the period 92 reports awaited final action. Final action was taken on two contract and financial assistance audits, leaving two reports requiring final action at the end of the period. This report has three sections. The first section outlines significant audit resolution and followup accomplishments achieved by the Department during the reporting period. The second section contains the statistical tables that illustrate the status of final action on Inspector General audit reports. The third lists the audit reports that are one year or more past management decision and have not completed final action. This section also provides the status of corrective actions on each of these reports.

  13. Semiannual report to Congress on Inspector General audit reports, April 1, 1995--September 30, 1995

    SciTech Connect

    1995-11-01

    This is the Secretary of Energy`s thirteenth Semiannual Report to Congress submitted under the Inspector General Act of 1978, as amended. Pursuant to the Inspector General Act Amendments of 1988 (Public Law 100-504), agency heads are to report to Congress on the status of final action taken on audit report recommendations. This report complements a report prepared by the Department`s Office of Inspector General that provides information on audit reports issued during the period and on the status of management decisions made on Inspector General audit reports. During the period covered by this report, April 1, 1995, through September 30, 1995, the Department took final action on 33 operational, financial, and preaward audit reports. At the end of the period 96 reports awaited final action. Final action was taken on 2 contract and financial assistance audits, leaving 2 reports requiring final action at the end of the period. This report has three sections. The first section outlines significant audit resolution and followup accomplishments achieved by the Department during the reporting period. The second section contains the statistical tables that illustrate the status of final action on Inspector General audit reports. The third lists the audit reports that are one year or more past management decision and have not completed final action. This section also provides the status of corrective actions on each of these reports.

  14. Semiannual report to Congress on Inspector General Audit Reports, October 1, 1994--March 31, 1995

    SciTech Connect

    1995-05-01

    This is the Secretary of Energy`s twelfth Semiannual Report to Congress submitted under the Inspector General Act of 1978, as amended. Pursuant to the Inspector General Act Amendments of 1988 (Public Law 100-504), agency heads are to report to Congress on the status of final action taken on audit report recommendations. This report complements a report prepared by the Department`s Office of Inspector General that provides information on audit reports issued during the period and on the status of management decisions made on Inspector General audit reports. During the period covered by this report, October 1, 1994 through March 31, 1995, the Department took final action on 32 operational, financial, and preaward audit reports. At the end of the period 90 reports awaited final action. Final action was taken on four contract and financial assistance audits, leaving four reports requiring final action at the end of the period. This report has three sections. The first section outlines significant audit resolution and followup accomplishments achieved by the Department during the reporting period. The second section contains the statistical tables that illustrate the status of final action on Inspector General audit reports. The third lists the audit reports that are one year or more past management decision and have not completed final action. This section also provides the status of corrective actions on each of these reports.

  15. Fusion materials semiannual progress report for the period ending December 31, 1996

    SciTech Connect

    1997-04-01

    This is the twenty-first in a series of semiannual technical progress reports on fusion materials. This report combines the full spectrum of research and development activities on both metallic and non-metallic materials with primary emphasis on the effects of the neutronic and chemical environment on the properties and performance of materials for in-vessel components. This effort forms one element of the materials program being conducted in support of the Fusion Energy Sciences Program of the US Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately. The report covers the following topics: vanadium alloys; silicon carbide composite materials; ferritic/martensitic steels; copper alloys and high heat flux materials; austenitic stainless steels; insulating ceramics and optical materials; solid breeding materials; radiation effects, mechanistic studies and experimental methods; dosimetry, damage parameters, and activation calculations; materials engineering and design requirements; and irradiation facilities, test matrices, and experimental methods.

  16. Fusion materials semiannual progress report for the period ending December 31, 1997

    SciTech Connect

    Burn, G.

    1998-03-01

    This is the twenty-third in a series of semiannual technical progress reports on fusion materials. This report combines the full spectrum of research and development activities on both metallic and non-metallic materials with primary emphasis on the effects of the neutronic and chemical environment on the properties and performance of materials for in-vessel components. This effort forms one element of the materials program being conducted in support of the Fusion Energy Sciences Program of the US Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately. The Fusion Materials Program is a national effort involving several national laboratories, universities, and industries. A large fraction of this work, particularly in relation to fission reactor experiments, is carried out collaboratively with their partners in Japan, Russia, and the European Union. The purpose of this series of reports is to provide a working technical record for the use of the program participants, and to provide a means of communicating the efforts of materials scientists to the rest of the fusion community, both nationally and worldwide. Selected papers have been indexed separately for inclusion in the Energy Science and Technology Database.

  17. Semiannual report to Congress on Inspector General audit reports, October 1, 1996--March 31, 1997

    SciTech Connect

    1997-05-01

    This is the Secretary of Energy`s sixteenth Semiannual Report to Congress submitted under the Inspector General Act of 1978, as amended. Pursuant to the Inspector General Act Amendments of 1988 (Public law 100-504), agency heads are to report to Congress on the status of final action taken on audit report recommendations. This report complements a report prepared by the Department`s Office of Inspector General that provides information on audit reports issued during the period and on the status of management decisions made on Inspector General audit reports. During the period covered by this report, October 1, 1996, through March 31, 1997, the Department took final action on 31 operational, financial, and preaward audit reports. At the end of the period 74 reports awaited final action. Final action was taken on 11 contract and financial assistance audits, leaving no reports requiring final action at the end of the period. This report has three sections. The first section outlines significant audit resolution and followup accomplishments achieved by the Department during the reporting period. The second section contains the statistical tables that illustrate the status of final action on Inspector General audit reports. The third lists the audit reports that are one year or more past management decision and have not completed final action. This section also provides the status of corrective actions on each of those reports.

  18. Fusion reactor materials: Semiannual progress report for period ending September 30, 1987

    SciTech Connect

    none,

    1988-03-01

    This is the third in a series of semiannual technical progress reports on fusion reactor materials. This report combines research and development activities which were previously reported separately in the following technical progress reports: Alloy Development for Irradiation Performances; Damage Analysis and Fundamental Studies; Special Purpose Materials. These activities are concerned principally with the effects of the neutronic and chemical environment on the properties and performance of reactor materials; together they form one element of the overall materials program being conducted in support of the Magnetic Fusion Energy Program of the US Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately. The Fusion Reactor Materials Program is a national effort involving several national laboratories, universities, and industries. The purpose of this series of reports is to provide a working technical record for the use of the program participants, and to provide a means of communicating the efforts of materials scientists to the rest of the fusion community, both nationally and worldwide.

  19. TFE Verification Program semiannual report for the period ending March 31, 1990

    SciTech Connect

    Not Available

    1990-07-01

    The objective of the semiannual progress report is to summarize the technical results obtained during the latest reporting period. The information presented herein will include evaluated test data, design evaluations, the results of analyses and the significance of results. The program objective is to demonstrate the technology readiness of a TFE suitable for use as the basic element in a thermionic reactor with electric power output in the 0.5 to 5.0 MW(e) range, and a full-power life of 7 years. The TFE Verification Program builds directly on the technology and data base developed in the 1960s and early 1970s in an AEC/NASA program, and in the SP-100 program conducted in 1983, 1984 and 1985. In the SP-100 program, the attractive features of thermionic power conversion technology were recognized but concern was expressed over the lack of fast reactor irradiation data. The TFE Verification Program addresses this concern. 6 refs., 67 figs., 37 tabs.

  20. Surface Gasification Materials Program. Semiannual progress report for the period ending September 30, 1982

    SciTech Connect

    Not Available

    1982-12-01

    The objective of the Surface Gasification Materials Program is to conduct research and development on materials for application to the specific needs of coal gasification systems. The Program is divided into two subprograms: (1) the Gasification Systems Fabrication Technology Program and (2) the Materials Application and Development Program. The purpose of the Gasification Systems Fabrication Technology Program is to evaluate innovative fabrication methods which have the potential to lower costs and improve reliability and safety for gasifier vessels and components. The purpose of the Materials Application and Development Program is to conduct engineering-scale development and application of materials for coal gasification systems to ensure that the materials of construction for pilot plants and future large-scale plants can be properly selected and specified. The Morgantown Energy Technology Center (METC), in its lead role for gasification projects, is responsible for ensuring that the Surface Gasification Materials Program is responsive to the needs for gasification systems. Under its lead role for fossil energy materials, the Oak Ridge Operations Office (ORO), is responsible for the planning, implementation, and management of the program in accordance with guidance received from METC. The ORNL Fossil Energy Materials Program Office compiles and issues this combined semiannual progress report from camera-ready copies submitted by each of the participating organizations.